Tecovirimat as a Potential Bioavailable inhibitor against MPXVgp158 Established through Molecular Dynamic Simulations and Docking Studies

Monkeypox is a zoonotic viral infection caused by monkeypox virus which belongs to the Poxviridae family of genus Orthopoxvirus. Usually, transmission happens when individual comes in contact with infected person through body fluids, animal lesions, respiratory droplets or contaminated materials. Clinical presentation has shown significant resemblance that smallpox and chickenpox, belonging same orthopoxvirus but were eradicated during 1980s globally. may lead range medical complications including clinical symptoms like fever, rashes, headaches, back pain, myodynia swollen lymph nodes. As far as treatment modalities are concerned, antiviral therapeutic agents developed for treatment, also permitted be used treatment. However, there no proven human monkeypox. In current study, we have focused on designing best probable ligand against target MPXVgp158 (Monkeypox protein). Since Tecovirimat an FDA approved compound known antipoxviral drug, study aimed develop protein inhibitor bioavailable biocompatible well drug using computational tools. Molecular docking (MD) analysis displayed lesser binding energy, higher non-bonded interaction capability, more stability MPXVgp158, efficient mode interactions. Hence, was adjudged potential candidate inhibition.