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Potential mechanism study of herbal pair schizonepetae herba and saposhnikoviae radix against coronavirus pneumonia via network pharmacology and molecular docking
Natural Product Research and Development ; 32(7):1087-1098, 2020.
Article in Chinese | CAB Abstracts | ID: covidwho-1229500
ABSTRACT
This study aims to predict potential targets and molecular mechanisms of herbal pair Schizonepetae Herba(SH) and Saposhnikoviae Radix(SR) against coronavirus pneumonia based on network pharmacology and molecular docking.At first, the active compounds and potential targets of SH and SR were collected from TCMSP,ETCM,BATMAN-TCM, and the related targets of coronavirus pneumonia were collected from GeneCards,OMIM, NCBI Gene. And then, PPI of common targets was analyzed by STRING,GO and KEGG enrichment analysis was performed by DAVID.At last, Autodock was used for molecular docking of potential pharmacodynamic compounds and key targets.A total of 28 active compounds and 56 key targets were collected from SH and SR.GO enrichment analysis collected 176 biological processes,47 molecular functions and 36 cell compounds (P < 0.05). The results of molecular docking showed that the binding energy of potential pharmacological compounds with key targets, angiotensin converting enzyme II (ACE2) and COVID-19 main protease was lower than -5 kcal/mol. This study demonstrated the potential pharmacodynamic compounds and targets of SH and SR on treatment of coronavirus pneumonia, which laid a foundation for the development and follow-up research of SH and SR.

Full text: Available Collection: Databases of international organizations Database: CAB Abstracts Topics: Traditional medicine Language: Chinese Journal: Natural Product Research and Development Year: 2020 Document Type: Article

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Full text: Available Collection: Databases of international organizations Database: CAB Abstracts Topics: Traditional medicine Language: Chinese Journal: Natural Product Research and Development Year: 2020 Document Type: Article