GC-MS analysis, molecular Docking and pharmacokinetic studies of various bioactive compounds from methanolic leaf extracts of Leucas aspera (L) against anti - Capripox viral activity

Capripox viruses in the poxviridae family show an emerging worldwide threat to small ruminants. And they cause severe poxviral infection with high mortality and morbidity rates, making them potentially useful for economic bioterrorism. This research investigated and evaluated GC-MS bioactive compounds from methanolic leaf extract of Leucas aspera by targeting the Capripox viral RNA polymerase and p32 immunogenic proteins using in silico molecular docking approaches with FDA-approved drugs. Through GC-MS analysis, 19 phytochemical compounds were detected in methanolic leaf extracts. Among all five phytochemicals, Imidazole, 4-(2-amino-1-methylethyl,n-Hexylmethanesulfonamide, N'-[(E)-(4-Bromophenyl)methylidene]-4-methylbenzohydrazide, 2,6-Dimethylbenzaldehyde carbamoylhydrazone, methyl N-hydroxybenzenecarboximidate was accepted as a potent drug-like compound through pharmacokinetic. The discovery of antiviral drugs is of immense significance in reducing the incidence of novel poxvirus infections, both economically and geographically. Thus, the present study may lead to the development of novel Anti-Capripox viral drugs using Leucas aspera in the development of herbal medicines for various ailments. [Display omitted]