Role of Computer-Aided Drug Design in Drug Development

Ruoxu Gu; Fengxu Wu; Zunnan Huang

doi:10.3390/molecules28207160

Role of Computer-Aided Drug Design in Drug Development

Molecules. 2023 Oct 19;28(20):7160. doi: 10.3390/molecules28207160.

Authors

Ruoxu Gu¹, Fengxu Wu², Zunnan Huang³

Affiliations

¹ School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China.
² Hubei Key Laboratory of Wudang Local Chinese Medicine Research, School of Pharmaceutical Sciences, Hubei University of Medicine, Shiyan 442000, China.
³ Key Laboratory of Big Data Mining and Precision Drug Design of Guangdong Medical University, Key Laboratory of Computer-Aided Drug Design of Dongguan City, Key Laboratory for Research and Development of Natural Drugs of Guangdong Province, School of Pharmacy, Guangdong Medical University, Dongguan 523808, China.

Abstract

The introduction of computational techniques to pharmaceutical chemistry and molecular biology in the 20th century has changed the way people develop drugs [...].

Publication types

Editorial

MeSH terms

Chemistry, Pharmaceutical
Computer-Aided Design*
Drug Design
Drug Discovery* / methods
Humans

Grants and funding

This work was supported by National Key R&D Program of China (Grant No. 2021YFA0911500), Hubei Provincial Natural Science Foundation (Grant No. 2023AFB300) and Key Discipline Construction Project of Guangdong Medical University (Grant No. 4SG23004G).