Employing bioactive compounds derived from Ipomoea obscura (L.) to evaluate potential inhibitor for SARS-CoV-2 main protease and ACE2 protein

Angiotensin converting enzyme 2 (ACE2) and main protease (M^Pro) are significant target proteins, mainly involved in the attachment of viral genome to host cells and aid in replication of severe acute respiratory syndrome-coronaviruses or SARS-CoV genome. In the present study, we identified 11 potent bioactive compounds from ethanolic leaf extract of Ipomoea obscura (L.) by using GC-MS analysis. These potential bioactive compounds were considered for molecular docking studies against ACE2 and M^Pro target proteins to determine the antiviral effects against SARS-COV. Results exhibits that among 11 compounds from I. obscura (L.), urso-deoxycholic acid, demeclocycline, tetracycline, chlorotetracycline, and ethyl iso-allocholate had potential viral inhibitory activity. Hence, the present findings suggested that chemical constitution present in I. obscura (L.) will address inhibition of corona viral replication in host cells.

Keywords: ADME; GC‐MS; Ipomoea Obscura (L.); Molecular docking; SARS‐CoV‐2.