In Silico Studies of Compounds Present in Azadirachta Indica (Neem) and Their Ability to Bind Hiv Integrase Protein

Azadirachta indica (Neem) is an evergreen tree that belongs to the Meliaceae family. It native Indian subcontinent and grows worldwide. also known as "village pharmacy" in India for its wide range of therapeutic pharmacological properties. An vitro study indicated A. showed anti-HIV However, exact mechanism supposed properties remains unknown. This aimed construct in-silico database compounds present in-dica propose a computational analysis these against HIV integrase. We performed thorough literature search gather relevant information on plant compounds, including chemical structure, location within plant, extraction method, percent yield each compound found plant. took comprehensive ap-proach closely binding pockets integrase molecular docking using Molecular Operating Envi-ronment. A deductive energies revealed thirty potential binders proteins. further validated by comparing ligand in-teractions inhibitors Ligplot+, which identified presence numerous hydrogen bonds hydrophobic interactions at protein pocket. In conclusion, we un-derlying several with integrase, yielding activity indica.