IN SILICO DOCKING AND STRUCTURAL ANALYSIS OF THE HEPATITIS B VIRUS (HBV) CORE ANTIGEN USING EXTRACTS FROM BITTER LEAF

ABSTRACT Hepatitis as the inflammation of the liver which may be caused by exposure to autoimmune diseases, bacterial infections or by exposure to certain chemicals but is person, sharing of infected needles or objects that breaks the skin. Viral hepatitis infection often caused by one of several viruses. This study aimed to investigate interaction between phytochemicals present in Moringa oleifara and the insulin receptor using in silico techniques. A comprehensive analysis of the phytochemical constituents of Vernonia amygdalina was performed, followed by molecular docking studies to predict their binding affinity towards the insulin receptor. CID-5375215 and CID-79983 have promising physicochemical properties but show limitations in terms of drug-likeness and BBB penetration. Compounds like CID-6811 and CID-91719686 show high BBB permeability and CYP2D6 inhibition, but their tumorigenic potential makes them less favorable for safe clinical use.CID-162567, CID-591162, and CID-91493 have lower toxicity profiles (mutagenic, tumorigenic, irritant, and reproduction) and no issues with BBB penetration, which makes them promising for further investigation in drug development.