ChemDiv in Publications and Patents

Anti-oral Squamous Cell Carcinoma Effects of a Potent TAZ Inhibitor AR-42

Lingyu Su; Si Wang; Ting Yuan; Xudong Xie; Xiaoming Fu; Ping Ji; Lei Zhong; Wenzhao Liu

PMC ID: PMC6930442 | DOI: 10.7150/jca.32436 |Journal: Journal of Cancer, 11(1) pp. 364-373 | Publisher: IvyspringInternational Publisher |Publication date: 2020-01-01

Originaldocument: PMC | Score: 16.650314 | Text size: 33910 | Find: similardocuments

In brief,HEK293-TAZ cells were seeded in 96-well plates, and treated with smallmolecules from ChemDivcompound library and an in-house focused libraryfor 24 h at 37 °C. ... reporter assay on HEK293-TAZ cells to screen TAZinhibitor in an in-house focused library and ChemDiv compoundlibrary, and found that the HDAC inhibitor AR-42 (Fig.

Identification of Plasmodium dipeptidyl aminopeptidase allostericinhibitors by high throughput screening

Mateo I. Sanchez; Laura E. deVries;ChristineLehmann;Jeong T. Lee; Kenny K. Ang; ChristopherWilson;Steven Chen; Michelle R.Arkin;Matthew Bogyo; Edgar Deu; Luzia HelenaCarvalho

PMC ID: PMC6919601 | DOI: 10.1371/journal.pone.0226270 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-12-18

Original document: PMC | Score: 13.996932 | Text size: 57294 | Find: similardocuments

is composedof 104,121 compounds and was assembled from numerous commercial vendors(ChemBridge,ChemDiv and SPECS), and the Celera Protease InhibitorCollection of 1,817 compounds, which is unique and

Discovery of Non-peptide Small Molecule Allosteric Modulators of theSrc-family Kinase, Hck

Heather R.Dorman;David Close; Bentley M.Wingert;Carlos J.Camacho;Paul A. Johnston; Thomas E.Smithgall

PMC ID: PMC6893557 | DOI: 10.3389/fchem.2019.00822 |Journal: Frontiers in Chemistry, 7(1) | Publisher: Frontiers Media S.A. |Publication date: 2019-11-28

Originaldocument: PMC | Score: 13.996932 | Text size: 48193 | Find: similardocuments

Screeninglibraries were purchased from ChemDiv (10,000 non-peptidepeptidomimetic library) and ChemBridge (50,000 compound diversity library).

Nanomolar-potency ‘co-potentiator’ therapy for cystic fibrosis caused bya defined subset of minimal function CFTR mutants

Puay-Wah Phuan; Joseph-AnthonyTan;Amber A. Rivera; Lorna Zlock; Dennis W.Nielson;Walter E.Finkbeiner;Peter M. Haggie; Alan S. Verkman

PMC ID: PMC6881293 | DOI: 10.1038/s41598-019-54158-2 |Journal: Scientific Reports, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2019-11-27

Originaldocument: PMC | Score: 14.2392435 | Text size: 45168 | Find: similar documents

Forscreening, 120,000 diverse drug-like synthetic compounds (ChemDiv Inc.,San Diego, CA) were tested. Other chemicals were purchased from Sigma unlessotherwise stated.

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2inhibitors

Irina Kufareva; Benoit Bestgen; Paul Brear; Renaud Prudent; BéatriceLaudet;VirginieMoucadel;MohamedEttaoussi;Celine F. Sautel; Isabelle Krimm; Matthias Engel; Odile Filhol; Marc Le Borgne; ThierryLomberget;Claude Cochet; Ruben Abagyan

PMC ID: PMC6828666 | DOI: 10.1038/s41598-019-52141-5 |Journal: Scientific Reports, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2019-11-04

Originaldocument: PMC | Score: 13.536236 | Text size: 82786 | Find: similardocuments

reagent gradeor better and were supplied by the following companies: Chembridge (San Diego,CA), ChemDiv(San Diego, CA), Enamine (Kiev, Ukraine),InterBioScreen (Moscow, Russia), LifeChemicals (Kiev,

Novel Hit Compounds as Putative Antifungals: The Case of Aspergillusfumigatus

Eftichia Kritsi; Minos-TimotheosMatsoukas;ConstantinosPotamitis;Anastasia Detsi; Marija Ivanov; Marina Sokovic; Panagiotis Zoumpoulakis;AthinaGeronikaki;Rino Ragno

PMC ID: PMC6864791 | DOI: 10.3390/molecules24213853 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-25

Original document: PMC | Score: 14.363574 | Text size: 49217 | Find: similardocuments

Sample Availability:Samples of the compounds 1–2, 3–5 and 6–8 were purchased from ChemDiv,Mcule and eMolecules, respectively. Supplementary Materials The following areavailable online.

A Chemosensory GPCR as a Potential Target to Control the Root-KnotNematode Meloidogyne incognita Parasitism in Plants

Emmanuel Bresso; Diana Fernandez; Deisy X. Amora; Philippe Noel; Anne-SophiePetitot;Maria-EugêniaLisei de Sa;Erika V. S.Albuquerque;Etienne G. J.Danchin;Bernard Maigret; NatáliaF. Martins

PMC ID: PMC6832152 | DOI: 10.3390/molecules24203798 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-22

Originaldocument: PMC | Score: 17.646307 | Text size: 62242 | Find: similardocuments

selectedmolecules allowed the identification of an active compound, namely C260-2124,from the ChemDivprovider, which can serve as a starting point forfurther investigations. ... From this list, it appeared that 85 compounds camefrom the ChemDiv provider’s library. ... the GPCR-centredlibraries encompassing six compounds providers: Asinex [73], Chembridge[74], ChemDiv [75], LifeChemicals [76], Otava [77] andSelleckchem [78], representing 112,951 molecules.

Design and Selection of Novel C1s Inhibitors by In Silico and In VitroApproaches

KatalinSzilágyi; IstvánHajdú; BeátaFlachner;ZsoltLőrincz; JúliaBalczer;PéterGál;PéterZávodszky; Chiara Pirli; BalázsBalogh;István M.Mándity;SándorCseh;GyörgyDormán

PMC ID: PMC6832932 | DOI: 10.3390/molecules24203641 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-09

Originaldocument: PMC | Score: 16.44229 | Text size: 76556 | Find: similardocuments

removal ofthe duplicated structures resulted in 445,457 compounds (Enamine (71,311compounds), ChemDiv(258,797 compounds), Chembridge (60,052 compounds),Interbioscreen (31,255 compounds) and Life ... from the actual edition of thetop vendor databases (~5 million compounds): Asinex, ChemBridge, ChemDiv,Enamine, Interbioscreen, Life Chemicals, Specs, UkrOrg, etc.[21,22,23,24,25,26,27,28].

A Small-Molecule Pan-Id Antagonist Inhibits Pathologic OcularNeovascularization

Paulina M.Wojnarowicz;Raquel Lima eSilva;Masayuki Ohnaka; Sang Bae Lee; Yvette Chin; Anita Kulukian; Sung-Hee Chang; Bina Desai; Marta GarciaEscolano;Riddhi Shah; Marta Garcia-Cao; Sijia Xu; Rashmi Kadam; Yehuda Goldgur; Meredith A.Miller;OuathekOuerfelli;Guangli Yang;Tsutomu Arakawa; Steven K.Albanese;William A.Garland;Glenn Stoller; JaideepChaudhary;Larry Norton; Rajesh KumarSoni;John Philip; Ronald C.Hendrickson;Antonio Iavarone; Andrew J.Dannenberg;John D. Chodera; Nikola Pavletich; Anna Lasorella; Peter A.Campochiaro;Robert Benezra

PMC ID: PMC6896334 | DOI: 10.1016/j.celrep.2019.08.073 |Journal: Cell reports, 29(1) pp. 62-75.e7 |Publicationdate: 2019-10-01 | Print publication date: 2019-10-01

Originaldocument: PMC | Score: 13.104898 | Text size: 96574 | Find: similardocuments

Compiledlists of commercially available compounds (libraries available fromChemBridge, ChemDiv, Maybridge, and Salor) were screened using abeta release of Autodock 4.0 (The Scripps Research

Identification of Fatty Acid Binding Protein 5 Inhibitors Through Similarity-BasedScreening

Yuchen Zhou; Matthew W. Elmes; Joseph M.Sweeney;Olivia M. Joseph; Joyce Che; Hao-Chi Hsu; Huilin Li; Dale G. Deutsch; Iwao Ojima; Martin Kaczocha; Robert C. Rizzo

PMC ID: PMC6812325 | DOI: 10.1021/acs.biochem.9b00625 |ISSN: 0006-2960 | Journal: Biochemistry, 58(1) pp. 4304-4316 |Publisher:AmericanChemical Society | Publicationdate: 2019-09-20 | Print publication date: 2019-10-22

Originaldocument: PMC | Score: 14.2392435 | Text size: 67063 | Find: similardocuments

in thebinding site from different rank-ordered lists, 78 compounds were ultimatelypurchased (ChemDivvendor) for experimental testing.

Predictive Power of In Silico Approach to Evaluate Chemicals against M.tuberculosis: A Systematic Review

Giulia OliveiraTimo;Rodrigo SouzaSilva Valle dos Reis; AdrianaFrançozo de Melo; Thales VianaLabourdette Costa; Pérola deOliveira Magalhães;MauricioHomem-de-Mello

PMC ID: PMC6789803 | DOI: 10.3390/ph12030135 |Journal: Pharmaceuticals, 12(1) | Publisher: MDPI | Publication date: 2019-09-16

Original document: PMC | Score: 14.490094 | Text size: 58450 | Find: similardocuments

CollaborativeDrug Discovery Database [49,50]; Other (CDRI [60], FDA approved drugs[67], ChemDiv [6], ChemSpider [59], TAACF [16], GSK [16],Enamine REAL [61], NCI [21] and Specs [70]).

Leishmania mexicana Trypanothione Reductase Inhibitors: Computational andBiological Studies

Félix Matadamas-Martínez; AliciaHernández-Campos; AlfredoTéllez-Valencia; AlejandraVázquez-Raygoza; SandraComparán-Alarcón; LiliánYépez-Mulia; Rafael Castillo

PMC ID: PMC6767256 | DOI: 10.3390/molecules24183216 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-09-04

Originaldocument: PMC | Score: 14.301138 | Text size: 52177 | Find: similardocuments

GeneralInformation Compounds ZINC04684558 and ZINC09642432 were purchased from ChemDiv (SanDiego, CA, USA), and compounds ZINC12151998, ZINC14970552, and ZINC11841871were purchased

Identification of Novel Antibacterials Using Machine Learning Techniques

Yan A. Ivanenkov; Alex Zhavoronkov; Renat S.Yamidanov;Ilya A. Osterman; Petr V. Sergiev; Vladimir A.Aladinskiy;Anastasia V.Aladinskaya;Victor A.Terentiev;Mark S. Veselov; Andrey A.Ayginin;Victor G.Kartsev;Dmitry A.Skvortsov;Alexey V.Chemeris;Alexey Kh.Baimiev;Alina A.Sofronova;Alexander S.Malyshev;Gleb I. Filkov; Dmitry S.Bezrukov;Bogdan A.Zagribelnyy;Evgeny O. Putin; Maria M.Puchinina;Olga A. Dontsova

PMC ID: PMC6719509 | DOI: 10.3389/fphar.2019.00913 |Journal: Frontiers in Pharmacology, 10(1) | Publisher: Frontiers Media S.A. |Publication date: 2019-08-27

Originaldocument: PMC | Score: 17.583435 | Text size: 67557 | Find: similardocuments

In general,we used two collections of commercially available compounds by ChemDiv andIBS. WhileChemDiv stock mainly contains organic compounds ofsynthetic origin, IBS basically focuses on nature-based ... These moleculeswere randomly selected and purchased from ChemDiv and IBScollections.

High‐ThroughputApproaches in Carbohydrate‐Active Enzymology: Glycosidase and GlycosylTransferase Inhibitors, Evolution, and Discovery

Lemeng Chao; Seino Jongkees

PMC ID: PMC6771893 | DOI: 10.1002/anie.201900055 |ISSN: 1433-7851 | Journal: Angewandte Chemie (International Ed. in English),58(1) pp. 12750-12760 | Publisher: John Wileyand Sons Inc. | Publicationdate: 2019-07-17 | Print publication date: 2019-09-09

Originaldocument: PMC | Score: 14.426556 | Text size: 49031 | Find: similardocuments

group,initial hits against O‐GlcNAc transferase from an expanded version of the the commercial ChemDivlibrary21were diversified through combinatorial chemistry based on a conserved

A Ligand-Based Virtual Screening Method Using Direct Quantification ofGeneralization Ability

Weixing Dai; Dianjing Guo

PMC ID: PMC6651094 | DOI: 10.3390/molecules24132414 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-06-30

Originaldocument: PMC | Score: 14.74994 | Text size: 37243 | Find: similardocuments

All the testcompounds were bought from ChemDiv (San Diego, CA, USA).

TRAF6 mediates human DNA2 polyubiquitination and nuclear localization tomaintain nuclear genome integrity

Yuan Meng; Changwei Liu; Lei Shen; Mian Zhou; Wenpeng Liu; Claudia Kowolik; Judith LCampbell;Li Zheng; Binghui Shen

PMC ID: PMC6698806 | DOI: 10.1093/nar/gkz537 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 47(1) pp. 7564-7579 |Publisher:OxfordUniversity Press | Publicationdate: 2019-06-19 | Print publication date: 2019-08-22

Originaldocument: PMC | Score: 13.76273 | Text size: 62685 | Find: similardocuments

The TRAF6 E3ligase inhibitor C25–140 (ChemDiv, Catalog #G827–0140) was added for 48h at a final concentration of 30 μM.

Development and optimization of a high-throughput screening methodutilizing Ancylostoma ceylanicum egg hatching to identify novel anthelmintics

Laura Abriola; Denton Hoyer; Conor R. Caffrey; David L.Williams;Timothy P.Yoshino;Jon J. Vermeire; Josué deMoraes

PMC ID: PMC6546214 | DOI: 10.1371/journal.pone.0217019 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-06-03

Originaldocument: PMC | Score: 14.618862 | Text size: 29332 | Find: similardocuments

Small MW,ChemBridge DiverSet, Enzo kinase inhibitor, Yale Compounds, MicroSourcePharmakon 1600,ChemDiv Diversity, Rainforest Endophyte Extracts)were screened against A. ceylanicum eggs in our egg hatch

Leveraging heterogeneous data from GHS toxicity annotations, molecularand protein target descriptors and Tox21 assay readouts to predict andrationalise acute toxicity

Chad H. G. Allen; Lewis H. Mervin; Samar Y. Mahmoud; Andreas Bender

PMC ID: PMC6544914 | DOI: 10.1186/s13321-019-0356-5 |Journal: Journal of Cheminformatics, 11(1) | Publisher: SpringerInternational Publishing | Publicationdate: 2019-05-31

Originaldocument: PMC | Score: 16.524874 | Text size: 84316 | Find: similardocuments

with the“reactive, unstable, toxic” endpoint, which includes structural alerts definedby ChemDiv, LifeChemicals and Enamine used for their internalcompound selection purposes, which was also ... propane and cyclopropane 25.13.1 × 10−5 Life chemicals TA567 Thioureas 25.1 3.1 ×10−5 ChemDiv TA885 Life chemicals TA1075 Ontarioinstitute for cancer research TA914 Nitrosos 16.

Subcellular compartmentalization of PKM2 identifies anti-PKM2 therapyresponse in vitro and in vivo mouse model of human non-small-cell lung cancer

Akiko Suzuki; Sachin Puri; Pamela Leland; Ankit Puri; Tarsem Moudgil; Bernard A. Fox; Raj K. Puri; Bharat H. Joshi; Aamir Ahmad

PMC ID: PMC6532891 | DOI: 10.1371/journal.pone.0217131 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-05-23

Originaldocument: PMC | Score: 13.878843 | Text size: 55081 | Find: similardocuments

(SMI-Compound2825–0090, N-(3-carboxy-4-hydroxy) phenyl 1–2,5,-dimethylpyrole) was purchasedfromChemDiv (San Diego, CA) and dissolved in PBS for treating theNSCLC and normal lung cell lines.

Novel chemical starting points for drug discovery in leishmaniasis andChagas disease

Irene Roquero; Juan Cantizani; Ignacio Cotillo; M. Pilar Manzano; Albane Kessler; J. JulioMartín; Case W. McNamara

PMC ID: PMC6545338 | DOI: 10.1016/j.ijpddr.2019.05.002 |Journal: International Journal for Parasitology: Drugs and DrugResistance, 10(1) pp. 58-68 | Publisher: Elsevier | Publication date: 2019-05-22

Originaldocument: PMC | Score: 13.76273 | Text size: 72868 | Find: similardocuments

the screencompounds. 76 T. cruzi hits and 63 L. donovani hits were available for resupplyfrom ChemDiv and Life Chemicals.

Advancement of the5-Amino-1-(Carbamoylmethyl)-1H-1,2,3-Triazole-4-Carboxamide Scaffold to Disarmthe Bacterial SOS Response

Trevor Selwood; Brian J. Larsen; Charlie Y. Mo; Matthew J.Culyba;Zachary M.Hostetler;Rahul M. Kohli; Allen B. Reitz; Simon D. P. Baugh

PMC ID: PMC6305444 | DOI: 10.3389/fmicb.2018.02961 |Journal: Frontiers in Microbiology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-12-18

Originaldocument: PMC | Score: 14.2392435 | Text size: 51939 | Find: similardocuments

Analogswhich were not synthesized were obtained from commercial vendors ChemDiv (SanDiego, CA, United States) and Vitas-M Laboratory (Champagne, IL).

Stemness marker ALDH1A1 promotes tumor angiogenesis via retinoicacid/HIF-1α/VEGF signalling in MCF-7 breastcancer cells

Valerio Ciccone; Erika Terzuoli; Sandra Donnini; AntonioGiachetti;Lucia Morbidelli; Marina Ziche

PMC ID: PMC6291966 | DOI: 10.1186/s13046-018-0975-0 |ISSN: 0392-9078 | Journal: Journal of Experimental & Clinical Cancer Research: CR, 37(1) | Publisher: BioMedCentral | Publicationdate: 2018-12-12

Originaldocument: PMC | Score: 13.536236 | Text size: 64085 | Find: similardocuments

MethodsChemicals and reagents The ALDH1A1 selective inhibitor CM037 was from ChemDivInc. (San Diego, CA, USA).

Inhibition of CPAP–tubulin interaction prevents proliferation ofcentrosome‐amplified cancercells

AruljothiMariappan;Komal Soni; Kenji Schorpp; Fan Zhao; Amin Minakar; Xiangdong Zheng; Sunit Mandad; Iris Macheleidt; Anand Ramani; TomášKubelka;MaciejDawidowski;KristinaGolfmann;Arpit Wason; Chunhua Yang; Judith Simons; Hans‐Günther Schmalz; Anthony A Hyman; Ritu Aneja;Roland Ullrich; Henning Urlaub; MargareteOdenthal;ReinhardtBüttner; Haitao Li; Michael Sattler; Kamyar Hadian; JayGopalakrishnan

PMC ID: PMC6331730 | DOI: 10.15252/embj.201899876 |ISSN: 0261-4189 | Journal: The EMBO Journal, 38(1) | Publisher: John Wileyand Sons Inc. | Publicationdate: 2018-12-10 | Print publication date: 2019-01-15

Originaldocument: PMC | Score: 12.700202 | Text size: 117793 | Find: similardocuments

in the CPAP‐tubulin HTScampaign was composed of compounds acquired from three providers, namelyChemDiv,Inc. (10,000 compounds), Enamine, Ltd. (10,000 compounds), andChemBridge, Corp. (5,000 compounds).

An Experimental Pipeline for Initial Characterization of Bacterial TypeIII Secretion System Inhibitor Mode of Action Using Enteropathogenic Yersinia

Jessica M.Morgan;Hanh N. Lam; Jocelyn Delgado; Justin Luu; Sina Mohammadi; Ralph R. Isberg; Helen Wang; VictoriaAuerbuch

PMC ID: PMC6262202 | DOI: 10.3389/fcimb.2018.00404 |Journal: Frontiers in Cellular and Infection Microbiology, 8(1) | Publisher: FrontiersMedia S.A. | Publicationdate: 2018-11-22

Originaldocument: PMC | Score: 13.996932 | Text size: 65275 | Find: similardocuments

INP0010(CAS# 68639-26-9) was obtained from ChemDiv.

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

Bruno J. Neves; Rodolpho C.Braga;Cleber C.Melo-Filho;JoséTeófilo Moreira-Filho; Eugene N.Muratov;Carolina HortaAndrade

PMC ID: PMC6262347 | DOI: 10.3389/fphar.2018.01275 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-11-13

Originaldocument: PMC | Score: 14.74994 | Text size: 33091 | Find: similardocuments

data wereused to develop QSAR models and, then, applied to screen near 700,000 compoundsfromChemDiv database.

Discovery of a Novel Microtubule Targeting Agent as an Adjuvant forCancer Immunotherapy

Fumi Sato-Kaneko; Xiaodong Wang; Shiyin Yao; Tadashi Hosoya; Fitzgerald S.Lao;Karen Messer; Minya Pu; Nikunj M. Shukla; Howard B. Cottam;Michael Chan; Dennis A. Carson; Maripat Corr; Tomoko Hayashi

PMC ID: PMC6199861 | DOI: 10.1155/2018/8091283 |ISSN: 2314-6133 | Journal: BioMed Research International, 2018(1) | Publisher:Hindawi | Publication date: 2018-10-10

Originaldocument: PMC | Score: 13.996932 | Text size: 52535 | Find: similardocuments

Othercompounds were purchased from ChemBridge Corporation and ChemDiv andwere verified for purity (>98%) by LC-MS.

Correcting glucose-6-phosphate dehydrogenase deficiency with asmall-molecule activator

Sunhee Hwang; Karen Mruk; Simin Rahighi; Andrew G. Raub; Che-Hong Chen; Lisa E. Dorn; Naoki Horikoshi; Soichi Wakatsuki; James K. Chen;DariaMochly-Rosen

PMC ID: PMC6168459 | DOI: 10.1038/s41467-018-06447-z |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-10-02

Originaldocument: PMC | Score: 13.536236 | Text size: 71259 | Find: similardocuments

All thecompounds purchased from SPECS, Chembridge, ChemDiv Kinase,LOPAC, Microsource Spectrum, Biomol FDA, Biomol ICCB, and NIH ClinicalCollection were

Genome-Wide Inhibition of Pro-atherogenic Gene Expression by Multi-STATTargeting Compounds as a Novel Treatment Strategy of CVDs

MartynaPlens-Galaska; MalgorzataSzelag;Aida Collado; Patrice Marques; Susana Vallejo; MariellaRamos-González; Joanna Wesoly; MaríaJesus Sanz;ConcepciónPeiró; Hans A. R.Bluyssen

PMC ID: PMC6156247 | DOI: 10.3389/fimmu.2018.02141 |Journal: Frontiers in Immunology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-09-19

Originaldocument: PMC | Score: 12.700202 | Text size: 108167 | Find: similardocuments

C01 andC01L_A03-C01L_F03 were purchased from Enamine; E01 from Asinex; F01 from ChemDiv;STX-0119 from Merck and STATTIC from Sigma-Aldrich.

Small molecules that target group II introns are potent antifungal agents

Olga Fedorova; G. Erik Jagdmann; Rebecca L. Adams; Lin Yuan; Michael C. VanZandt;Anna Marie Pyle

PMC ID: PMC6239893 | DOI: 10.1038/s41589-018-0142-0 |ISSN: 1552-4450 | Journal: Nature chemical biology, 14(1) pp. 1073-1078 |Publication date: 2018-09-07 | Print publication date: 2018-12

Originaldocument: PMC | Score: 13.878843 | Text size: 58425 | Find: similardocuments

(76compounds), protease inhibitors (53 compounds) and additional compounds fromChemBridge MW andChemDiv to bring the total number of compounds to 10000.

The Small-Compound Inhibitor K22 Displays Broad Antiviral Activityagainst Different Members of the Family Flaviviridae and Offers Potential as aPanviral Inhibitor

ObdulioGarcía-Nicolás; Philip V'kovski; Nathalie J.Vielle;Nadine Ebert; Roland Züst; Jasmine Portmann; HanspeterStalder;VéroniqueGaschen;GabrielleVieyres;Michael Stoffel; MatthiasSchweizer;ArturSummerfield;Olivier Engler; ThomasPietschmann;Daniel Todt; Marco P. Alves;Volker Thiel; StephaniePfaender

PMC ID: PMC6201103 | DOI: 10.1128/AAC.01206-18 |ISSN: 0066-4804 | Journal: Antimicrobial Agents and Chemotherapy, 62(1) | Publisher:American Society for Microbiology | Publication date: 2018-09-04

Originaldocument: PMC | Score: 13.648543 | Text size: 65154 | Find: similardocuments

benzamide)was purchased from ChemDiv (catalog number 4295-0370; SanDiego, CA) and DMSO.

The TMEM16A channel mediates the fast polyspermy block in Xenopus laevis

Katherine L.Wozniak;Wesley A. Phelps; Maiwase Tembo; Miler T. Lee; Anne E. Carlson

PMC ID: PMC6122928 | DOI: 10.1085/jgp.201812071 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 150(1) pp.1249-1259 |Publisher: Rockefeller University Press | Publicationdate: 2018-09-03 | Print publication date: 2018-09-03

Originaldocument: PMC | Score: 14.2392435 | Text size: 54256 | Find: similardocuments

and 2-(4-chloro-2-methylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]-acetamide(Ani9) from ChemDiv.

Discovery and Identification of Pyrazolopyramidine Analogs as NovelPotent Androgen Receptor Antagonists

Lingyan Wang; Tianqing Song; Xin Wang; Jiazhong Li

PMC ID: PMC6121070 | DOI: 10.3389/fphar.2018.00864 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-08-28

Originaldocument: PMC | Score: 18.165255 | Text size: 48086 | Find: similardocuments

Then the ARcrystal structure (PDB ID:1T65) and Anti-AR were both used to virtually screenthe ChemDivdatabase by using Glide standard precision (SP) dockingprogram. Glide SP, a semi flexible docking method, performs exhaustive samplingand is the recommended balance between speed and accuracy. ChemDiv isnow the recognized global leader in discovery chemistry with the industry'slargest, most ... regression (MLR) method were employed to in silico evaluatethe bioactivities of the filtered ChemDiv chemicals containedin database 2. The development and validation of QSAR models The linear MLR ...preparation Considering the diversity of the molecular structure, thecommercially available ChemDiv structural library(http://www.chemdiv.

A metabolite-derived protein modification integrates glycolysis withKEAP1-NRF2 signaling

Michael J.Bollong;Gihoon Lee; John S. Coukos; Hwayoung Yun; Claudio Zambaldo; Jae Won Chang; Emily N. Chin; Insha Ahmad; Arnab K.Chatterjee;Luke L. Lairson; Peter G. Schultz; Raymond E.Moellering

PMC ID: PMC6444936 | DOI: 10.1038/s41586-018-0622-0 |ISSN: 0028-0836 | Journal: Nature, 562(1) pp. 600-604 |Publicationdate: 2018-08-28 | Print publication date: 2018-10

Originaldocument: PMC | Score: 15.963614 | Text size: 82825 | Find: similardocuments

CBR-470-0and CBR-581-9 were from ChemDiv. CBR-470-1 (initially from ChemDiv asD470-2172) and related analogs were synthesized in house according to fullmethods described in

K284-6111 prevents the amyloid beta-induced neuroinflammation andimpairment of recognition memory through inhibition of NF-κB-mediated CHI3L1 expression

Ji Yeon Choi; In Jun Yeo; Ki Cheon Kim; Won Rack Choi; Jae-Kyung Jung; Sang-Bae Han; Jin Tae Hong

PMC ID: PMC6087013 | DOI: 10.1186/s12974-018-1269-3 |Journal: Journal of Neuroinflammation, 15(1) | Publisher: BioMedCentral |Publication date: 2018-08-11

Originaldocument: PMC | Score: 13.878843 | Text size: 52408 | Find: similardocuments

(K284-6111)and other chemicals were obtained from ChemDiv, Inc. (Cat No.3292320, San Diego, CA).

Targeting the Microenvironment in High Grade Serous Ovarian Cancer

Nkechiyere G.Nwani;Livia E. Sima; WilbertoNieves-Neira; Daniela Matei

PMC ID: PMC6115937 | DOI: 10.3390/cancers10080266 |Journal: Cancers, 10(1) | Publisher: MDPI | Publication date: 2018-08-10

Originaldocument: PMC | Score: 13.42576 | Text size: 89735 | Find: similardocuments

efforts usedan AlphaLISA-based assay adapted to high-throughput screening and applied tothe ChemDivlibrary leading to the discovery and validation ofseveral small molecules [126].

Insights into the development of chemical probes for RNA

Brittany SMorgan;Jordan E Forte; Amanda EHargrove

PMC ID: PMC6144806 | DOI: 10.1093/nar/gky718 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 46(1) pp. 8025-8037 |Publisher:OxfordUniversity Press | Publicationdate: 2018-08-08 | Print publication date: 2018-09-19

Originaldocument: PMC | Score: 14.2392435 | Text size: 66141 | Find: similardocuments

Recently,chemical companies have designed such focused libraries (ChemDiv,Nucleic Acid Ligands: http://www.chemdiv.

Biaryl sulfonamide motifs up- or down-regulate ion channel activity byactivating voltage sensors

Sara I. Liin; Per-Eric Lund; Johan E. Larsson; Johan Brask; BjörnWallner;Fredrik Elinder

PMC ID: PMC6080886 | DOI: 10.1085/jgp.201711942 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 150(1) pp.1215-1230 |Publisher: Rockefeller University Press | Publicationdate: 2018-08-06 | Print publication date: 2018-08-06

Originaldocument: PMC | Score: 14.2392435 | Text size: 60672 | Find: similardocuments

ConsortiumSweden)*; Natural derivatives (TimTec); NIH Clinical Collection (NIH);Peptidomimetics (ChemDiv Inc.)*; and Tocriscreen Plus (Tocris Bioscience).

Identification of a novel c-Myc inhibitor with antitumor effects onmultiple myeloma cells

Ruosi Yao; Xiaoyang Sun; Yu Xie; Xiaoshen Sun; Yao Yao; Hujun Li; Zhenyu Li; Jian Gao; Kailin Xu

PMC ID: PMC6146296 | DOI: 10.1042/BSR20181027 |ISSN: 0144-8463 | Journal: Bioscience Reports, 38(1) | Publisher: PortlandPress Ltd. |Publication date: 2018-08-01

Originaldocument: PMC | Score: 17.709631 | Text size: 28027 | Find: similar documents

It wasidentified from the ChemDiv compound database by moleculardocking-based, high-throughput virtual screening. ... The ChemDiv database,a commercially available small molecule database from TopScience Co. ...Because only 2D-structural information was available, all compounds inthe ChemDiv database were preprocessed by using the dbtranslate module in Sybyl-X2.

Identification of a small molecule inhibitor of Ebola virus genomereplication and transcription using in silico screening

Victoria Easton; Martin McPhillie; IsabelGarcia-Dorival; John N. Barr; Thomas A.Edwards;Richard Foster; Colin Fishwick; Mark Harris

PMC ID: PMC6371959 | DOI: 10.1016/j.antiviral.2018.06.003 |ISSN: 0166-3542 | Journal: Antiviral Research, 156(1) pp. 46-54 |Publisher:Elsevier | Publication date: 2018-08-01 | Print publication date: 2018-08

Originaldocument: PMC | Score: 17.646307 | Text size: 42059 | Find: similardocuments

Dry stocksof the original compounds were later purchased from the original supplier (ChemDiv)to confirm initial biological activity. Follow-up compounds were purchased fromChemBridge or ChemDiv and shipped as dry stocks. ...structural derivatives, where particular functional groups had been modified,were purchased (from ChemDiv Inc) and a further eight ChemBridgeanalogues were identified using the programme ROCS (rapid overlay

Screening and analysis of acetyl-cholinesterase (AChE) inhibitors in thecontext of Alzheimer's disease

Mohd. Babu Khan; Bhagath KumarPalaka;Tuleshwori DeviSapam;Naidu Subbarao; Dinakara RaoAmpasala

PMC ID: PMC6166398 | DOI: 10.6026/97320630014414 |Journal: Bioinformation, 14(1) pp. 414-428 | Publisher: BiomedicalInformatics |Publication date: 2018-08

Originaldocument: PMC | Score: 19.113825 | Text size: 36455 | Find: similardocuments

Ligandlibrary preparation A library of 23,731 CNS_BBB compounds was obtained fromthe ChemDiv database (http://www.chemdiv.com/cns-bbblibrary/)[21]. CNS-BBB ChemDiv database compound is a known asantioxidant and anti-inflammatory nature, and the 2D structures in Sdf formatwere downloaded from theChemDiv database, and created a 3D-Phasedatabase from Phase module of the Schrodinger, phase version 3.2. ...Discussion Based on this CNS-BBB, Standard Data Format (SDF) data, provided bythe ChemDiv Data base server, finding the top three ligandinhibitors as M1, M8, and M10 shows a good ... -204.27+/-50.94 -214.40 +/12.67Table 3 ADMET Property profile of the top ten hits of CNS-BBB of ChemDiv databasecompounds Compound Ida Molecular Weight1 SASA2 QPLogS3 QPlog- HERG4 QPlog-BB5 %HOA6

Frizzled-8 integrates Wnt-11 and transforming growth factor-β signaling in prostate cancer

VirginiaMurillo-Garzón; IrantzuGorroño-Etxebarria; MalinÅkerfelt; Mikael ChristerPuustinen;Lea Sistonen; Matthias Nees; James Carton;Jonathan Waxman; Robert M. Kypta

PMC ID: PMC5931552 | DOI: 10.1038/s41467-018-04042-w |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-05-01

Originaldocument: PMC | Score: 13.104898 | Text size: 82903 | Find: similardocuments

Inhibitor 1(3235-0367) and 2 (2124-0331), which were obtained from ChemDiv Inc. (CA,USA) were used at 10 μM for 24 hin migration assays.

Small molecule KDM4s inhibitors as anti-cancer agents

Hongzhi Lin; Qihang Li; Qi Li; Jie Zhu; Kai Gu; Xueyang Jiang; Qianqian Hu; Feng Feng; Wei Qu; Yao Chen; Haopeng Sun

PMC ID: PMC6010108 | DOI: 10.1080/14756366.2018.1455676 |ISSN: 1475-6366 | Journal: Journal of Enzyme Inhibition and Medicinal Chemistry,33(1) pp. 777-793 | Publisher: Taylor &Francis | Publicationdate: 2018-04-13

Originaldocument: PMC | Score: 13.536236 | Text size: 76162 | Find: similardocuments

A moleculardocking-based virtual screening against various chemical libraries includeSpecs and ChemDivwas performed to retrieve two compounds withmodest inhibition rate against KDM4D (> 50% at 10 μM).

High Performance Virtual Screening by Targeting a High-resolution RNADynamic Ensemble

Laura R. Ganser; Janghyun Lee; Atul Rangadurai; Dawn K. Merriman; Megan L. Kelly; Aman D. Kansal; BharathwajSathyamoorthy; Hashim M.Al-Hashimi

PMC ID: PMC5942591 | DOI: 10.1038/s41594-018-0062-4 |ISSN: 1545-9993 | Journal: Nature structural & molecular biology, 25(1) pp.425-434 | Publication date: 2018-04-05 | Print publication date: 2018-05

Originaldocument: PMC | Score: 14.117049 | Text size: 66856 | Find: similardocuments

Michigan,Ann Arbor. 100,000 molecules were synthetic organic molecules with drug-likeproperties (ChemDiv). The other 3,498 compounds consisted of 2,000bioactive molecules (MicroSource Discovery Systems

In Silico Discovery of a Substituted 6-Methoxy-quinalidine withLeishmanicidal Activity in Leishmania infantum

StrahinjaStevanović; Andrej Perdih; MilanSenćanski; SanjaGlišić; Margarida Duarte; Ana M.Tomás; Filipa V. Sena; Filipe M. Sousa; Manuela M.Pereira;Tom Solmajer; Thomas J.Schmidt

PMC ID: PMC6017605 | DOI: 10.3390/molecules23040772 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-03-27

Originaldocument: PMC | Score: 14.301138 | Text size: 49462 | Find: similardocuments

of 500,000commercially available compounds originating from different vendors (e.g.,VITAS-M, ChemDiv, ChemBridge, etc.

Computer-Aided Drug Design in Epigenetics

Wenchao Lu; Rukang Zhang; Hao Jiang; Huimin Zhang; Cheng Luo

PMC ID: PMC5857607 | DOI: 10.3389/fchem.2018.00057 |Journal: Frontiers in Chemistry, 6(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-03-12

Originaldocument: PMC | Score: 13.42576 | Text size: 116979 | Find: similar documents

LSD1; PRMT5ChEMBL ~1.7 million http://www.ebi.ac.uk/chembldb/index.php GCN5; BRD4 ChemDiv ~1.5million http://www.chemdiv.

Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space viaCheminformatics Approaches: Impact on Rational Drug Design

Shaherin Basith; Minghua Cui; Stephani J. Y.Macalino;Jongmi Park; Nina A. B.Clavio;Soosung Kang; Sun Choi

PMC ID: PMC5854945 | DOI: 10.3389/fphar.2018.00128 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-03-09

Originaldocument: PMC | Score: 16.120045 | Text size: 112002 | Find: similardocuments

Kruse etal., 2013 Ki=1.2 uM A, nonrhodopsin (lipid-like) CB2R Enamine, Otava,ChemBridge, ChemDiv, Vitasm, IBS, LifeChemicals, Specs, and TimTec:5,613,820 compounds 13 hits ≥ 50% inhibition at 10 ... 80,700https://www.keyorganics.net ChemBridge 1,100,000 Yhttp://www.chembridge.com ChemDiv 1,500,000 Yhttp://www.chemdiv.com CoCoCo 6,981,500 http://cococo.isof.cnr.

Virtual Screening of Small Molecular Inhibitors against DprE1

Gang Zhang; Song Guo; Huaqing Cui; Jianguo Qi

PMC ID: PMC6017230 | DOI: 10.3390/molecules23030524 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-02-27

Originaldocument: PMC | Score: 18.638195 | Text size: 23102 | Find: similardocuments

Weidentified potential DprE1 inhibitors from the ChemDiv datasetthrough virtual screening based on pharmacophore and molecular docking. ...Results and Discussion The ChemDiv is the industry’s largest,most diverse, and most pharmacologically-relevant commercial collection, ...Preparation for Virtual Screening TheChemDiv dataset containing1.96 million compounds was downloaded from the ZINC database [11]. ... FirstRound of Screening Based on Oprea’s Lead-Likeness Criteria The ChemDiv dataset,containing 1,962,494 compounds, was filtered to exclude compounds that did notfollow ... We identified DprE1 inhibitors from theChemDiv datasetthrough virtual screening based on pharmacophore and molecular docking.

Combination of Virtual Screening Protocol by in Silico toward theDiscovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors

Ying Fu; Yi-Na Sun; Ke-Han Yi; Ming-Qiang Li; Hai-Feng Cao; Jia-Zhong Li; Fei Ye

PMC ID: PMC5807903 | DOI: 10.3389/fchem.2018.00014 |Journal: Frontiers in Chemistry, 6(1) | Publisher: FrontiersMedia S.A. |Publication date: 2018-02-06

Originaldocument: PMC | Score: 18.863625 | Text size: 48724 | Find: similardocuments

pharmacophoremodel was used as a 3D query for searching four databases (Maybridge,Chembridge,ChemDiv, and Specs) to discern novel HPPD inhibitors and alsoutilized as a predictive program to estimate ... Subsequently, Chembridge,Maybridge, ChemDiv and Specs were selected as “Input Database”and Hypo1 was imported to “Input Pharmacophore” to ... as a 3D query tool toscreen the chemical databases like Maybridge (20565), Chembridge (40637), ChemDiv (12620),and Specs (37738). ... As a result, 643, 392, 416, and 466 (a total of 1917)compounds from Maybridge, Chembridge, ChemDiv and Specs, weremapped upon all the features of Hypo1.

QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species

Byoung Sik Kim; Song Yee Jang; Ye-ji Bang; Jungwon Hwang; Youngwon Koo; Kyung Ku Jang; Dongyeol Lim; Myung Hee Kim; Sang Ho Choi; E. PeterGreenberg

PMC ID: PMC5790914 | DOI: 10.1128/mBio.02262-17 |Journal: mBio, 9(1) | Publisher: AmericanSociety for Microbiology | Publicationdate: 2018-01-30

Originaldocument: PMC | Score: 13.996932 | Text size: 72030 | Find: similardocuments

Hitmolecules were either purchased from ChemDiv (San Diego, CA)or synthesized as described below.

Identification of allosteric inhibitors of the ecto-5'-nucleotidase(CD73) targeting the dimer interface

Rahila Rahimova; Simon Fontanel; Corinne Lionne; Lars PeterJordheim;SuzannePeyrottes;Laurent Chaloin; AvnerSchlessinger

PMC ID: PMC5805337 | DOI: 10.1371/journal.pcbi.1005943 |ISSN: 1553-734X | Journal: PLoS Computational Biology, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2018-01-29

Originaldocument: PMC | Score: 13.76273 | Text size: 68647 | Find: similardocuments

was composedof unique molecules, commercially available from several main suppliers(Asinex, ChemDiv Inc., Vitas-M laboratory and Enamine).

NMR-Fragment Based Virtual Screening: A Brief Overview

Meenakshi Singh; Benjamin Tam; Barak Akabayov

PMC ID: PMC6017141 | DOI: 10.3390/molecules23020233 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-01-25

Originaldocument: PMC | Score: 13.996932 | Text size: 94229 | Find: similardocuments

1500Modified Ro3 compliant Kinase focused fragment library 500 19F labeled fragmentlibrary 500 ChemDiv3D designed fragment library >4000 Ro3compliant Enamine “Simple” fragment library 126,597 Ro3

Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells

Brent D. G. Page; Nicholas C. K.Valerie;Roni H. G.Wright;Olov Wallner; Rebecka Isaksson; Megan Carter; Sean G. Rudd; Olga Loseva; Ann-Sofie Jemth; IngridAlmlöf;Jofre Font-Mateu; SabinLlona-Minguez; PawelBaranczewski; Fredrik Jeppsson; Evert Homan; Helena Almqvist; Hanna Axelsson; Shruti Regmi; Anna-LenaGustavsson;ThomasLundbäck; Martin Scobie; KiaStrömberg; PålStenmark;Miguel Beato; Thomas Helleday

PMC ID: PMC5772648 | DOI: 10.1038/s41467-017-02293-7 |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-01-17

Originaldocument: PMC | Score: 13.317075 | Text size: 78980 | Find: similardocuments

(CBCS)primary screening set and several commercial libraries from Enamine, TimTec,Maybridge andChemDiv.

Identification of Collateral Sensitivity to Dihydroorotate DehydrogenaseInhibitors in Plasmodium falciparum

Leila Saxby Ross; MariaJosé Lafuente-Monasterio; TomoyoSakata-Kato;Rebecca E. K.Mandt;Francisco JavierGamo;Dyann F. Wirth; Amanda K. Lukens

PMC ID: PMC5899019 | DOI: 10.1021/acsinfecdis.7b00217 |Journal: ACS Infectious Diseases, 4(1) pp. 508-515 |Publisher: American Chemical Society | Publicationdate: 2018-01-16 | Print publication date: 2018-04-13

Originaldocument: PMC | Score: 14.426556 | Text size: 40292 | Find: similardocuments

IDI-6273 waspurchased from ChemDiv.

Reverting iodine avidity of radioactive-iodine refractory thyroid cancerwith a new tyrosine kinase inhibitor (K905-0266) excavated by high-throughputNIS (sodium iodide symporter) enhancer screening platform using dual reportergene system

Ji Min Oh; SenthilkumarKalimuthu;Prakash Gangadaran; Se Hwan Baek; Liya Zhu; Ho Won Lee; Ramya LakshmiRajendran;Chae Moon Hong; Shin Young Jeong; Sang-Woo Lee; Jaetae Lee; Byeong-Cheol Ahn

PMC ID: PMC5805537 | DOI: 10.18632/oncotarget.24159 |Journal: Oncotarget, 9(1) pp. 7075-7087 |Publisher: Impact Journals LLC |Publication date: 2018-01-11

Originaldocument: PMC | Score: 14.117049 | Text size: 45448 | Find: similardocuments

K905-0266TKI was purchased from ChemDiv (San Diego, CA, USA) anddissolved in dimethyl sulfoxide (DMSO) and stored at −80°C.

Kallikrein-related peptidase 7 is a potential target for the treatment ofpancreatic cancer

Jian Ping Du; Lin Li; Jun Zheng; Ding Zhang; Wei Liu; Wei Hong Zheng; Xiao Song Li; Ru Cheng Yao; Fangyu Wang; Sen Liu; Xiao Tan

PMC ID: PMC5849182 | DOI: 10.18632/oncotarget.24132 |Journal: Oncotarget, 9(1) pp. 12894-12906 | Publisher: Impact Journals LLC |Publication date: 2018-01-10

Originaldocument: PMC | Score: 16.44229 | Text size: 45197 | Find: similardocuments

In silicoscreening of novel KLK7 inhibitors The 1,044,623 molecules in the ChemDiv databasewere prepared in Pipeline Pilot to generate 3-D conformations and minimized(Figure 5). ... Experimental validation of novel KLK7 inhibitors The 300compounds purchased from the ChemDiv library were evaluatedfor the in vitro inhibition of KLK7 by measuring the hydrolysis of the FRET

Polarized actin and VE-cadherin dynamics regulate junctional remodellingand cell migration during sprouting angiogenesis

Jiahui Cao; Manuel Ehling; Sigrid März; Jochen Seebach; KatsiarynaTarbashevich; Tomas Sixta; Mara E.Pitulescu;Ann-CathrinWerner;Boris Flach;Eloi Montanez; Erez Raz; Ralf H. Adams; Hans Schnittler

PMC ID: PMC5738342 | DOI: 10.1038/s41467-017-02373-8 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-12-20

Originaldocument: PMC | Score: 13.104898 | Text size: 94651 | Find: similardocuments

purchasedfrom Calbiochem (Bad Soden, Germany), and the active inhibitor CK548 waspurchased fromChemDiv (#K205-1650, San Diego, USA). Regents were usedat concentrations as indicated in the text.

Small molecule Photoregulin3 prevents retinal degeneration in the RhoP23Hmouse model of retinitis pigmentosa

Paul A Nakamura; Andy A Shimchuk; Shibing Tang; Zhizhi Wang; Kole DeGolier; Sheng Ding; Thomas A Reh; Jeremy Nathans

PMC ID: PMC5693111 | DOI: 10.7554/eLife.30577 |Journal: eLife, 6(1) | Publisher: eLifeSciences Publications, Ltd | Publicationdate: 2017-11-17

Originaldocument: PMC | Score: 17.52101 | Text size: 49512 | Find: similardocuments

LaboratoryJackson Stock No: 000664; RRID:IMSR_JAX:000664 Chemical compound Photoregulin3(PR3)ChemDiv, and then synthesized in Ding Lab PubChem CID: 2092851Chemical compound Photoregulin1 (PR1)ChemDiv, and then synthesized inDing Lab PubChem CID: 7901316 Antibody Anti- Rhodopsin (Rho4D2), mouse ... Itwas initially obtained from ChemDiv and then synthesized andpurified in large quantities in the lab after initial screening.

A novel Fer/FerT targeting compound selectively evokes metabolic stressand necrotic death in malignant cells

Yoav Elkis; Moshe Cohen; Etai Yaffe; ShirlySatmary-Tusk; Tal Feldman; Elad Hikri; Abraham Nyska; Ariel Feiglin; Yanay Ofran; Sally Shpungin; Uri Nir

PMC ID: PMC5643328 | DOI: 10.1038/s41467-017-00832-w |Journal: Nature Communications, 8(1) | Publisher: Nature Publishing Group UK |Publication date: 2017-10-16

Originaldocument: PMC | Score: 15.367116 | Text size: 95412 | Find: similardocuments

robot, andapplied for screening a library comprised of 100,000 synthetic compounds (ChemDiv,USA). ... E260 was also computationally analyzed using the ChemSoft software (ChemDiv,USA) and proven to possess drug-likeness according to the Lipinski’s rule of 561.

Nanoparticulate vacuolar ATPase blocker exhibits potent host-targetedantiviral activity against feline coronavirus

Che-Ming Jack Hu; Wei-Shan Chang; Zih-Syun Fang; You-Ting Chen; Wen-Lin Wang; Hsiao-Han Tsai; Ling-Ling Chueh; Tomomi Takano; Tsutomu Hohdatsu; Hui-Wen Chen

PMC ID: PMC5638965 | DOI: 10.1038/s41598-017-13316-0 |Journal: Scientific Reports, 7(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-10-12

Originaldocument: PMC | Score: 13.996932 | Text size: 51246 | Find: similardocuments

Diphyllinand diphyllin-encapsulated nanoparticles Diphyllin (ChemDiv, San Diego,CA) and bafilomycin A1 (Sigma) were dissolved in dimethyl sulfoxide (DMSO,Sigma).

Novel direct AMPK activator suppresses non-small cell lung cancer throughinhibition of lipid metabolism

Xi Chen; Chun Xie; Xing-Xing Fan; Ze-Bo Jiang; Vincent Kam-WaiWong;Jia-Hui Xu; Xiao-Jun Yao; Liang Liu; Elaine Lai-HanLeung

PMC ID: PMC5707083 | DOI: 10.18632/oncotarget.21716 |Journal: Oncotarget, 8(1) pp. 96089-96102 | Publisher: Impact Journals LLC |Publication date: 2017-10-09

Original document: PMC | Score: 13.878843 | Text size: 55446 | Find: similardocuments

MATERIALSAND METHODS Materials The compound library consisting 74 compounds werepurchased fromChemDiv (San Diego, CA, USA).

Eicosapentaenoic acid and 5-HEPE enhance macrophage-mediated Treginduction in mice

ToshiharuOnodera;AtsunoriFukuhara;Jihoon Shin; TomonoriHayakawa;Michio Otsuki; IichiroShimomura

PMC ID: PMC5496870 | DOI: 10.1038/s41598-017-04474-2 |Journal: Scientific Reports, 7(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-07-04

Originaldocument: PMC | Score: 13.996932 | Text size: 45088 | Find: similardocuments

GPR119antagonist TM43718 was purchased as E897-0145 from ChemDiv (SanDiego, CA, USA).

Identification of Direct Activator of Adenosine Monophosphate-ActivatedProtein Kinase (AMPK) by Structure-Based Virtual Screening and MolecularDocking Approach

Tonghui Huang; Jie Sun; Shanshan Zhou; Jian Gao; Yi Liu

PMC ID: PMC5535900 | DOI: 10.3390/ijms18071408 |Journal: International Journal of Molecular Sciences, 18(1) | Publisher: MDPI |Publicationdate: 2017-06-30

Originaldocument: PMC | Score: 18.617102 | Text size: 32937 | Find: similardocuments

A chemicallibrary containing with 1,500,000 commercially available compounds (ChemDiv database)was docked to the molecular models of α1β1γ1 and α2β1γ1 AMPKisoforms in silico, respectively. Prior to docking, the ChemDiv databasewas split into eight subsets for molecular docking. ... The ChemDiv databasewas supplied by Topscience Co. ... Figure 5 Structures of retrieved hitstargeting α1β1γ1 AMPK isoformfromChemDiv database. Figure 6 The binding modes of typical hitcompounds for α1β1γ1 AMPKisoform. ... Figure 7 Structures of retrieved hits targeting α2β1γ1 AMPKisoform from ChemDiv database. Figure 8 The binding modes oftypical activators for α2β1γ1 AMPKisoform.

Identification of benzazole compounds that induce HIV-1 transcription

Jason D. Graci; Daniel Michaels; Guangming Chen; Gillian M.Schiralli Lester; Sarah Nodder; Marla Weetall; Gary M. Karp; Zhengxian Gu; Joseph M.Colacino;Andrew J.Henderson;Fatah Kashanchi

PMC ID: PMC5489165 | DOI: 10.1371/journal.pone.0179100 |Journal: PLoS ONE, 12(1) | Publisher: PublicLibrary of Science | Publicationdate: 2017-06-28

Originaldocument: PMC | Score: 13.878843 | Text size: 63610 | Find: similardocuments

Compound 1,2-(4-(5-amino-1H-benzimidazol-2-yl)phenyl)benzoxazol-5-amine, was acquiredfrom ChemDiv(San Diego, CA). Compounds 2–6 were synthesized at PTCTherapeutics, Inc.

3D Pharmacophore-Based Virtual Screening and Docking Approaches towardthe Discovery of Novel HPPD Inhibitors

Ying Fu; Yi-Na Sun; Ke-Han Yi; Ming-Qiang Li; Hai-Feng Cao; Jia-Zhong Li; Fei Ye; AlessandroPedretti

PMC ID: PMC6152767 | DOI: 10.3390/molecules22060959 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 22(1) | Publisher: MDPI | Publication date: 2017-06-09

Originaldocument: PMC | Score: 19.086233 | Text size: 32321 | Find: similardocuments

The ChemDiv databasewas screened using CBP-Hypo2 as a 3D query, and the best-fit hits subjected tomolecular ... HPPD inhibitors pharmacophore model molecule docking HipHop modelvirtual screeningChemDiv 1. Introduction Weeds compete with cropsfor sunshine, water, nutrients, and space, which ... having inhibitory activityagainst HPPD based on receptor, CBP-Hypo2 was used to screen the ChemDiv libraryto find potential HPPD inhibitors and Fit Value was selected as an importantcriterion. The hydrophobic groups (benzene and methyl) of the four compoundsobtained from the ChemDiv database formed hydrophobicinteractions with Met314 and Pro205, and the intermediate aromatic ring

A covalent PIN1 inhibitor selectively targets cancer cells by a dualmechanism of action

Elena Campaner; AlessandraRustighi;AlessandroZannini;AlbertoCristiani;Silvano Piazza; Yari Ciani; Ori Kalid; Gali Golan; Erkan Baloglu; Sharon Shacham; BarbaraValsasina;Ulisse Cucchi; Agnese ChiaraPippione;Marco LucioLolli;Barbara Giabbai; Paola Storici; Paolo Carloni; Giulia Rossetti; FedericaBenvenuti;Ezia Bello; MaurizioD'Incalci;ElisaCappuzzello;Antonio Rosato; Giannino Del Sal

PMC ID: PMC5472749 | DOI: 10.1038/ncomms15772 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group |Publication date: 2017-06-09

Originaldocument: PMC | Score: 15.963614 | Text size: 81154 | Find: similardocuments

Bionet (www.keyorganics.co.uk),Specs (www.specs.net), Chembridge (www.chembridge.com), ChemDiv(www.chemdiv.com)and Enamine (www.enamine.net). ... measurement 15 μl of Trypsin50 mg ml−1 (Sigma) and 5 μl of Suc-AEPF-MCA peptide 100 μg ml−1 (ChemDiv)in TFE LiCl 480 mM were added and the solutions mixed.

Comparative functional genomic screens of three yeast deletioncollections reveal unexpected effects of genotype in response to diverse stress

Erica Acton; Amy Huei-Yi Lee; Pei Jun Zhao; StephaneFlibotte;Mauricio Neira; Sunita Sinha; Jennifer Chiang; Patrick Flaherty; Corey Nislow; Guri Giaever

PMC ID: PMC5493772 | DOI: 10.1098/rsob.160330 |Journal: Open Biology, 7(1) | Publisher: The RoyalSociety | Publicationdate: 2017-06-07

Originaldocument: PMC | Score: 14.490094 | Text size: 61522 | Find: similardocuments

Screeningconcentrations for each compound (cisplatin (Toronto Research Chemicals), PCID16001701 (ChemDiv), CCCP (Sigma), FCCP (Sigma)) were determined byanalysing dose–response curves on wild-type

Screening of the ‘Open Scaffolds’ collection from Compounds Australiaidentifies a new chemical entity with anthelmintic activities against differentdevelopmental stages of the barber's pole worm and other parasitic nematodes☆

Sarah Preston; Yaqing Jiao; Jonathan B.Baell;Jennifer Keiser; Simon Crawford; Anson V. Koehler; Tao Wang; Moana M. Simpson; Ray M. Kaplan;Karla J. Cowley; Kaylene J.Simpson;Andreas Hofmann; Abdul Jabbar; Robin B. Gasser

PMC ID: PMC5517787 | DOI: 10.1016/j.ijpddr.2017.05.004 |Journal: International Journal for Parasitology: Drugs and DrugResistance, 7(1) pp. 286-294 | Publisher: Elsevier | Publication date: 2017-05-28

Originaldocument: PMC | Score: 14.363574 | Text size: 46349 | Find: similardocuments

microfilariaeof B. malayi A compound with known activity against H. contortus was purchasedfrom ChemDiv(USA) and then dissolved in DMSO to reach a stockconcentration of 30 mM, and then tested for its

In-depth Profiling of MvfR-Regulated Small Molecules in Pseudomonasaeruginosa after Quorum Sensing Inhibitor Treatment

GiuseppeAllegretta;Christine K.Maurer;Jens Eberhard; Damien Maura; Rolf W. Hartmann; Laurence Rahme; Martin Empting

PMC ID: PMC5442231 | DOI: 10.3389/fmicb.2017.00924 |Journal: Frontiers in Microbiology, 8(1) | Publisher: FrontiersMedia S.A. |Publication date: 2017-05-24

Originaldocument: PMC | Score: 14.117049 | Text size: 45945 | Find: similardocuments

Thetricyclic 3 (Figure 2) and amitriptyline were purchased from ChemDiv (UnitedStates) and Alfa Aesar (Germany), respectively.

Targeting the deubiquitinase STAMBP inhibits NALP7 inflammasome activity

Joseph S.Bednash;NathanielWeathington;James Londino; Mauricio Rojas; Dexter L. Gulick; Robert Fort; SeungHye Han; Alison C.McKelvey;Bill B. Chen; Rama K.Mallampalli

PMC ID: PMC5437278 | DOI: 10.1038/ncomms15203 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group |Publication date: 2017-05-11

Originaldocument: PMC | Score: 13.317075 | Text size: 66892 | Find: similardocuments

The top 10score-ranking molecules were synthesized by a contract research organization (ChemDiv)and further tested in cell based and in vitro models.

Identification of Antifungal H+-ATPase Inhibitors with Effect on PlasmaMembrane Potential

Lasse Kjellerup; Sandra Gordon; Karen O'HanlonCohrt;William DalbyBrown;Anja ThoeFuglsang;Anne-Marie L.Winther

PMC ID: PMC5487681 | DOI: 10.1128/AAC.00032-17 |ISSN: 0066-4804 | Journal: Antimicrobial Agents and Chemotherapy, 61(1) | Publisher:American Society for Microbiology | Publication date: 2017-04-24

Originaldocument: PMC | Score: 13.76273 | Text size: 53127 | Find: similardocuments