NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2020, Vol. 32 ›› Issue (10): 1629-1636. doi: 10.16333/j.1001-6880.2020.10.001

Special Issue: No.1

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Study on active components of Jinyebaidu granules in COVID-19 treatment using ADME and “Lipinski's Rules”

JIMILIHAN Si-ma-yi1,MAIMAITIMING Nu-er-mai-mai-ti2,AINIWAER Wu-mai-er1,NULIBIYA Mai-he-mu-ti1,MAIERDAN Yu-su-fu1,MUHADAISI Nu-er1,KAYISAIER A-bu-du-rou-su-li1,ZHOU Wen-ting 1*   

  1. 1Department of Pharmacology,Xinjiang Medical University; 2Department of Uyghur Medical,Xinjiang Medical University,Urumqi 830011,China

  • Online:2020-10-28 Published:2020-10-29

Abstract:

To explore the mechanism of anti-coronavirus disease 2019(COVID-19) of Jinyebaidu granules,47 active components and 128 corresponding targets were screened by the network pharmacology platform of traditional Chinese medicine and molecular docking,according to ADME and Lipinski's Rules.Twenty potential targets were selected by taking the intersection between 128 targets and 251 COVID-19 related genes from GeneCards database.The 20 potential targets were related to 256 gene functions and 67 signal pathways (FDR ≤ 0.01) by analyzing the datum collected from DAVID.Cytoscape 3.7.1 was used for analyzing and visualizing the core targets,including PTGS2,PTGS1,NOS3,PPARG,and NOS2.Then the binding ability between the 47 active components and the 5 core targets was analyzed by Autodock,it revealed that the active components including kaempferol,glycyrol and indirubin were predicted to be the core components in the network interaction.The results of the current study are expected to provide information for the further investigation of Jinyebaidu granules in prevention and treatment of COVID-19.

Key words: Jinyebaidu granules, COVID-19, molecular docking, network pharmacology, ADME, Lipinski's Rules

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