Concepedia

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

Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey B. Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao,

Chemical Science · 2023 · 326 citations · 47 references

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Concepts

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.

References

47

Global Cancer Statistics 2020: GLOBOCAN Estimates of Incidence and Mortality Worldwide for 36 Cancers in 185 Countries

Hyuna Sung, Jacques Ferlay, Rebecca L. Siegel et al. · CA A Cancer Journal for Clinicians · 2021 · 112.5K citations · Full text

, , +16

Highly accurate protein structure prediction with AlphaFold

John Jumper, Alexander Pritzel, Tim Green et al. · Nature · 2021 · 45.2K citations · Full text

, , +11

Tissue-based map of the human proteome

Mathias Uhlén, Linn Fagerberg, Björn M. Hallström et al. · Science · 2015 · 15.9K citations · Full text

, , +17

AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models

Mihály Váradi, Stephen Anyango, Mandar Deshpande et al. · Nucleic Acids Research · 2021 · 8.3K citations · Full text

, , +14

Accurate prediction of protein structures and interactions using a three-track neural network

Minkyung Baek, Frank DiMaio, Ivan Anishchenko et al. · Science · 2021 · 5.7K citations · Full text

, , +17