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Actionable druggable genome-wide Mendelian randomization identifies repurposing opportunities for COVID-19.
Gaziano L, Giambartolomei C, Pereira AC, Gaulton A, Posner DC, Swanson SA, Ho YL, Iyengar SK, Kosik NM, Vujkovic M, Gagnon DR, Bento AP, Barrio-Hernandez I, Rönnblom L, Hagberg N, Lundtoft C, Langenberg C, Pietzner M, Valentine D, Gustincich S, Tartaglia GG, Allara E, Surendran P, Burgess S, Zhao JH, Peters JE, Prins BP, Angelantonio ED, Devineni P, Shi Y, Lynch KE, DuVall SL, Garcon H, Thomann LO, Zhou JJ, Gorman BR, Huffman JE, O'Donnell CJ, Tsao PS, Beckham JC, Pyarajan S, Muralidhar S, Huang GD, Ramoni R, Beltrao P, Danesh J, Hung AM, Chang KM, Sun YV, Joseph J, Leach AR, Edwards TL, Cho K, Gaziano JM, Butterworth AS, Casas JP; VA Million Veteran Program COVID-19 Science Initiative. Gaziano L, et al. Among authors: bento ap. Nat Med. 2021 Apr;27(4):668-676. doi: 10.1038/s41591-021-01310-z. Epub 2021 Apr 9. Nat Med. 2021. PMID: 33837377 Free PMC article.
The ChEMBL database in 2017.
Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. Gaulton A, et al. Among authors: bento ap. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. doi: 10.1093/nar/gkw1074. Epub 2016 Nov 28. Nucleic Acids Res. 2017. PMID: 27899562 Free PMC article.
A comprehensive map of molecular drug targets.
Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI, Overington JP. Santos R, et al. Among authors: bento ap. Nat Rev Drug Discov. 2017 Jan;16(1):19-34. doi: 10.1038/nrd.2016.230. Epub 2016 Dec 2. Nat Rev Drug Discov. 2017. PMID: 27910877 Free PMC article. Review.
A large-scale dataset of in vivo pharmacology assay results.
Hunter FMI, L Atkinson F, Bento AP, Bosc N, Gaulton A, Hersey A, Leach AR. Hunter FMI, et al. Among authors: bento ap. Sci Data. 2018 Oct 23;5:180230. doi: 10.1038/sdata.2018.230. Sci Data. 2018. PMID: 30351302 Free PMC article.
ChEMBL: towards direct deposition of bioassay data.
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. Mendez D, et al. Among authors: bento ap. Nucleic Acids Res. 2019 Jan 8;47(D1):D930-D940. doi: 10.1093/nar/gky1075. Nucleic Acids Res. 2019. PMID: 30398643 Free PMC article.
An open source chemical structure curation pipeline using RDKit.
Bento AP, Hersey A, Félix E, Landrum G, Gaulton A, Atkinson F, Bellis LJ, De Veij M, Leach AR. Bento AP, et al. J Cheminform. 2020 Sep 1;12(1):51. doi: 10.1186/s13321-020-00456-1. J Cheminform. 2020. PMID: 33431044 Free PMC article.
Target-Based Evaluation of "Drug-Like" Properties and Ligand Efficiencies.
Leeson PD, Bento AP, Gaulton A, Hersey A, Manners EJ, Radoux CJ, Leach AR. Leeson PD, et al. Among authors: bento ap. J Med Chem. 2021 Jun 10;64(11):7210-7230. doi: 10.1021/acs.jmedchem.1c00416. Epub 2021 May 13. J Med Chem. 2021. PMID: 33983732 Free PMC article.
37 results