Analysis of Beneficial
Binding Affinity of the Active Compounds of Andrographis paniculata with the Measles
Virus Protein: An In-Silico Virtual Docking Approach
Nithiyanandam Sangeetha, S. Vijayadharsini, J. Vaishnavi, Mishra Subhashree, Purushottam
Sunkari, Sahoo Pyareelal and Evan Prince Sabina
Res. J. Biotech.; Vol. 17(1); 102-110;
doi: https://doi.org/10.25303/1701rjbt102110; (2022)
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.
