In silico screening of natural compounds from Jatropha curcas (Euphorbiaceae, Linn) and Jatropha gossypifolia (Euphorbiaceae, Linn) against SARS-CoV2, a COVID-19 main protease, using molecular docking approach

SARS-Cov2, the COVID-19 main protease is set to be a good target for potential inhibitors especially from plants. 6LU7, crystal structure of has been used docking with natural compounds Jatropha curcas and gossypifolia. The following identified within J. have given binding affinities than Azythromycin (control sample): 2-methyl anthraquinone, Curcusone D, Palmarumycin CP1, Apigenin, Jatropholone A, B, Spirocurcasone Multidione. best score CP1 -8.2 Kcal/mol. All these are R05 satisfied, HIA scores pharmacokinetic properties. In J.gossypifolia, 2,24,25-Trihydroxylanosta-1,7-dien-3-one ; Cleomiscosin Citlalitrione, Gossypifan, Jatrophenone, Gadain, Gossypidien, Falodone Gossypiline having sample). A This study shown anti-COVID-19 two