IN-SILICO SCREENING OF PLANT-DERIVED NATURAL COMPOUNDS FOR THEIR ANTI- COVID-19 POTENTIAL

Journal of The Chilean Chemical Society

article

Vandita Anand¹  Saumya Srivastava¹  Anjana Pandey¹ 

[1] Department of Biotechnology, Motilal Nehru National Institute of Technology

关键词: COVID-19;    SARS-CoV-2;    Indian herbal plants;    Natural compounds;    Docking;    ADMET analysis;   

DOI  :  10.4067/S0717-97072022000305656

学科分类：化学（综合）

来源: Sociedad Chilena de Quimica

【 摘 要 】

The novel coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) began in Wuhan, China, in December 2019 and quickly spread across the worldwide. It becomes a global pandemic and risk to the healthcare system of almost every nation around the world. In this study thirty natural compounds of 19 Indian herbal plants were used to analyze their binding with eight proteins associated with COVID -19. Based on the molecular docking as well as ADMET analysis, isovitexin, glycyrrhizin, sitosterol, and piperine were identified as potential herbal medicine candidates. On comparing the binding affinity with Ivermectin, we have found that the inhibition potentials of the Trigonella foenum-graecum (fenugreek), Glycyrrhiza glabra (licorice), Tinospora cordifolia (giloy) and Piper nigrum (black pepper) are very promising with no side-effects.

【 授权许可】

Unknown