Advancements in virtual screening techniques for study of enzyme inhibitor compounds.
10.19540/j.cnki.cjcmm.20230901.601
- Author:
Bei WANG
1
;
Ying-Ying MENG
1
;
Man-Ping LUO
1
;
Kang-Xu WANG
1
;
Mei-Yuan LI
1
;
De-Min LI
1
;
Xin-Guo ZHANG
1
Author Information
1. Key Laboratory of Screening and Deep Processing in New Tibetan Medicine of Gansu Province,School of Life Science and Technology, Lanzhou University of Technology Lanzhou 730050, China.
- Publication Type:Journal Article
- Keywords:
drug discovery;
enzyme inhibitors;
molecular docking;
pharmacophore;
virtual screening
- MeSH:
Artificial Intelligence;
Enzyme Inhibitors/pharmacology*;
High-Throughput Screening Assays;
Molecular Docking Simulation
- From:
China Journal of Chinese Materia Medica
2023;48(24):6533-6544
- CountryChina
- Language:Chinese
-
Abstract:
Enzymes are closely associated with the onset and progression of numerous diseases, making enzymes a primary target in innovative drug development. However, the challenge remains in identifying compounds that exhibit potent inhibitory effects on the target enzymes. With the continuous expansion of the total number of natural products and increasing difficulty in isolating and enriching new compounds, traditional high-throughput screening methods are finding it increasingly challenging to meet the demands of new drug development. Virtual screening, characterized by its high efficiency and low cost, has gradually become an indispensable technology in drug development. It represents a prominent example of the integration of artificial intelligence with biopharmaceuticals and is an inevitable trend in the rapid development of innovative drug screening in the future. Therefore, this article primarily focused on systematically reviewing the recent applications of virtual screening technology in the development of enzyme inhibitors and explored the prospects and advantages of using this technology in developing new drugs, aiming to provide essential theoretical insights and references for the application of related technologies in the field of new drug development.
