Network Pharmacology Evaluation of Corona Virus Disease 2019(COVID-19) Prevention and Treatment of Traditional Chinese Medicine

ABSTRACT

Objective: To analyze the action mechanism of anti-Corona Virus Disease 2019(COVID-19)by Chinese herbal compound and propose a combination of Chinese medicine through network pharmacology and molecular docking. Method(s) Based on the Chinese medicine and Chinese medicine prescription for prevention and treatment of COVID-19, ADME properties(OB>=30%;DL>=0.18)was used for virtual screening;Potentially active molecules in protease Mpro and receptor ACE2 were screened by molecular docking(Binding Scores>4);Through the overlap ratio of active components and key targets, the suggestions on optimizing formula combination were provided. Result(s) 127 Chinese medicinal materials and 885 active components were obtained. The active components close to Lopinavie scores included squalene, shikonin, stigmasterol, etc. The traditional chinese medicinal materials with overlap rate of active molecules>=15% included Ephedrae Herba, Lonicerae Japonicae Flos, Scutellariae Radix, etc. The key Chinese herbal medicines with overlapping rate of key targets>=15% included Glycyrrhizae Radix et Rhizoma, Pinelliae Rhizoma, Curcumae Radix, etc. Conclusion(s) The combinations of Chinese herbal are proposed(1)Ephedrae Herba, Armeniacae Semen Amarum, Glycyrrhizae Radix et Rhizoma, Curcumae Longae Rhizoma;(2)Lonicerae Japonicae Flos, Scutellariae Radix, Arnebiae Radix, Verbenae Herba;(3)Ephedrae Herba, Pinelliae Rhizoma, Curcumae Radix, Pseudostellariae Radix. Copyright © 2021, Central Station of Chinese Medicinal Materials Information, National Medical Products Administration. All right reserved.