Analysis of Beneficial Binding Affinity of the Active Compounds of Andrographis paniculata with the Measles Virus Protein: An In-Silico Virtual Docking Approach

Abstract

Measles is a highly infectious viral disease that affects the respiratory tract. Even though the vaccine was developed, it still concerns a group of populations in the world. Andrographis paniculata is locally called Green chiretta, an annual herbaceous plant that has numerous medicinal properties. The thirteen compounds from Andrographis paniculata were virtually docked with the major receptor proteins of measles i.e. SLAMF1, CD 46, Nectin-4, Fusion protein and Haemagglutinin protein using the PatchDock program for molecular docking. The results obtained were analyzed and the docked structures are visualized using PyMOL software. Based on PyMOL analysis of all ligand interactions with measles virus host cell receptors and viral proteins among thirteen bioactive components, tetradecanoic acid was found to interact strongly with all measles virus proteins forming at most five hydrogen bonds and had the best geometrical fit to the measles receptors.