The application of artificial intelligence to accelerate G protein-coupled receptor drug discovery

被引：19

作者：

Nguyen, Anh T. N. ^{[1
]}

Nguyen, Diep T. N. ^{[2
]}

Koh, Huan Yee ^{[1
,3
]}

Toskov, Jason ^{[4
]}

MacLean, William ^{[4
]}

Xu, Andrew ^{[4
]}

Zhang, Daokun ^{[1
]}

Webb, Geoffrey I. ^{[3
]}

May, Lauren T. ^{[1
]}

Halls, Michelle L. ^{[1
]}

机构：

[1] Monash Univ, Monash Inst Pharmaceut Sci, Drug Discovery Biol Theme, 399 Royal Parade, Parkville, Vic 3052, Australia

[2] Vietnam Natl Univ, Fac Engn & Technol, Dept Informat Technol, Hanoi, Vietnam

[3] Monash Univ, Monash Data Futures Inst, Dept Data Sci & Artificial Intelligence, Clayton, Vic, Australia

[4] Monash Univ, Monash DeepNeuron, Clayton, Vic, Australia

来源：

BRITISH JOURNAL OF PHARMACOLOGY | 2024年 / 181卷 / 14期

基金：

英国医学研究理事会;

关键词：

artificial intelligence; deep learning; drug discovery; G protein-coupled receptor; machine learning; ALLOSTERIC MODULATORS; GPCR; PREDICTION; IDENTIFICATION; DOCKING; SELECTIVITY; DATABASE; MODEL;

D O I：

10.1111/bph.16140

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

The application of artificial intelligence (AI) approaches to drug discovery for G protein-coupled receptors (GPCRs) is a rapidly expanding area. Artificial intelligence can be used at multiple stages during the drug discovery process, from aiding our understanding of the fundamental actions of GPCRs to the discovery of new ligand-GPCR interactions or the prediction of clinical responses. Here, we provide an overview of the concepts behind artificial intelligence, including the subfields of machine learning and deep learning. We summarise the published applications of artificial intelligence to different stages of the GPCR drug discovery process. Finally, we reflect on the benefits and limitations of artificial intelligence and share our vision for the exciting potential for further development of applications to aid GPCR drug discovery. In addition to making the drug discovery process "faster, smarter and cheaper," we anticipate that the application of artificial intelligence will create exciting new opportunities for GPCR drug discovery.

引用

页码：2371 / 2384

页数：14

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