NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2020, Vol. 32 ›› Issue (12): 2031-2039. doi: 10.16333/j.1001-6880.2020.12.007

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Study on the distribution law and influence factors of antibacterial activity of Chinese medicine

WANG Meng-yu1,2,3,SHAO Xin-xin1,2,3,LI Jin-tong1,2,3,HAN Wen1,2,REN Xia2,3,FU Xian-jun1,2,3,4*   

  1. 1Institute of Traditional Chinese Medicine Literature and Culture,Shandong University of Traditional Chinese Medicine,Jinan 250355,China;2Marine Traditional Chinese Medicine Research Center,Qingdao Academy of Traditional Chinese Medicine,Shandong University of Traditional Chinese Medicine,Qingdao 266114,China;3Shandong Research Center of Engineering and Technology for omics of Traditional Chinese Medicine;4Laboratory of Traditional Chinese Medicine Network Pharmacology,Shandong University of Traditional Chinese Medicine,Jinan 250355,China

  • Online:2020-12-28 Published:2020-12-24

Abstract:

The purpose of this paper is to analyze the distribution law and influence factors of antibacterial activity of Chinese medicine(CM).A total of 1 687 literatures about antibacterial activity of CMs were retrived from China National Knowledge Infrastructure (CNKI) and analyzed by data mining methods,and 38 851 data were sorted out,involving 1 289 kinds of CMs.It was found that most of the CMs with antibacterial activity have the properties of bitter flavor,cold nature and liver meridian tropism,and contain triterpenes,flavonoids and coumarins compounds.The results of molecular docking showed that the combination of triterpenoids with the antifungal target sterol 14 α-demethylase (CYP51) was highly scored,while flavonoid and coumarin may combine with β-lactamase (AmpC) to reverse bacterial resistance.According to the study on the family and genus distribution of components with dominant molecular skeleton from CMs with antibacterial activity,it was found that the compounds with flavonoid skeleton were mainly distributed in Leguminosae,and the compounds with tetracyclic triterpene skeleton were mainly distributed in Liliaceae,etc.The above results indicated that CMs with antibacterial activity exhibited certain rules in the properties of CM,molecular structure of components,especially in the dominant skeleton and the distribution of families,which provides references for the screening of new CMs and components with antibacterial activity,especially for the study on reversal of drug-resistant bacteria and the development of innovative anti-fungal drugs.

Key words: Chinese medicines (CM), antibacterial activity, CM properties, molecular docking, chemical information

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