AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

Ren, Feng; Ding, Xiao; Zheng, Min; Korzinkin, Mikhail; Cai, Xin; Zhu, Wei; Mantsyzov, Alexey B.; Aliper, Alex; Aladinskiy, Vladimir; Cao, Zhongying; Kong, Shanshan; Long, Xi; Liu, Bonnie Hei Man; Liu, Yingtao; Naumov, Vladimir; Shneyderman, Anastasia; Ozerov, Ivan V.; Wang, Ju; Pun, Frank W.; Polykovskiy, Daniil; Sun, Chong; Levitt, Michael D.; Aspuru‐Guzik, Alán; Zhavoronkov, Alex

doi:10.1039/d2sc05709c

articleChemical ScienceJan 1, 2023DIAMOND OA

AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

FRFeng Ren XDXiao Ding MZMin Zheng MKMikhail Korzinkin XCXin Cai

Hong Kong Science and Technology Parks Corporation · Canadian Institute for Advanced Research · +3 more institutions

PubMed

Indexed incrossrefdoajpubmed

Abstract

A novel CDK20 small molecule inhibitor discovered by artificial intelligence based on an AlphaFold-predicted structure demonstrates the first application of AlphaFold in hit identification for efficient drug discovery.

Citation impact

317

total citations

FWCI: 59.76
Percentile: 100%
References: 58

Citations per year

Authors

24

Topics & keywords

Topics

Keywords

Drug discovery
Small molecule
Computational biology
Molecule
Combinatorial chemistry
Virtual screening
Chemistry
Nanotechnology

UN Sustainable Development Goals

Good health and well-being

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