In silico approaches for study the therapeutic potential of Cannabis sativa (Bhang) against HIV

Abstract

Human Immunodeficiency Virus (HIV) is one of the world's most significant public health issues. HIV become severe in the COVID pandemic. Scientists are investigating antivirals for HIV from phytoconstituents. Since the beginning of civilization, medicinal plants have played an important role in plentiful sources of nutrients and, healing of infection. The purpose of this in-silico study was to investigate the potential antiviral activity of metabolites from Cannabis sativa against HIV. The plant's active metabolites were retrieved, and molecular docking for 24 molecules was performed against the Protease, GP120, Integrase, and Reverse transcriptase proteins of the HIV, and their binding affinity compared with the existing drug. Results revealed that delta-cadenine, campestrol, beta-carotene and cannabinol showed the lowest binding energy for the proteins reverse transcriptase, protease, GP120, and Integrase when compared with their reference drugs respectively. Bhang is a potential therapeutic agent and provides alternative treatments to prompt, sensitive, cost-effective management of HIV.