Virtual Screening of Antimicrobial Agents from Medicinal Plants.

Autor: Yongzhong Lu, Zhao, Junkui, Cheng, Linyue
Předmět:
Zdroj: Russian Journal of Bioorganic Chemistry; Jul2021, Vol. 47 Issue 4, p939-944, 6p
Abstrakt: Discovery of new antimicrobial agents is an urgent need to fight emerging antibiotic resistance. Auxiliary pathways such as metabolism-related and stress-associated ones are considered to be attractive targets for new antimicrobial agents' development, while medicinal plants and their constituents may be the potential sources. In this work, the iron utilization pathway was targeted with 2, 3-dihydroxybenzoic acid as the ligand to virtually screen Traditional Chinese Medicine (TCM) database for friendly and effective antimicrobial agents. Finally, nearly 70 potential compounds were screened out, and four were sampled and proved to have antibacterial activity. Above all, ligand–based virtual screening on natural products database can help us efficiently find friendly antimicrobial compounds for further in vitro testing and application. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index