Targeting the ENV spike protein of HIV with naturally occurring compounds: an in-silico study for drug designing

Human Immunodeficiency Virus (HIV) infects human by destroying the immune system. The types of HIV strains HIV-1 and HIV-2, among being more prevalent considered deadly. Eventually either leads to disease Acquired Syndrome (AIDS). Traditional medicinal plants have a pivotal role in modern pharmacological process due their rich composition secondary metabolites with significant biological activity. Computational tools are gaining momentum as they predict higher accuracy, robust provide insight interaction small molecule target protein. This study was conducted for understanding mode Phyto compounds Env spike proteins HIV. studied ADME properties molecular docking using Schrödinger software performed. From results, Ethyl gallate observed least score binding affinity HIV-ENV protein (4CC8) Cinnamyl acetate (cis/trans) HIV-1-ENV (6ULC).