.

ISSN 2063-5346
For urgent queries please contact : +918130348310

MOLECULAR DOCKING INVESTIGATION OF ANTI-VIRAL ACTION OF ILLICIUM VERUM (STAR ANISE) AGAINST MARBURG VIRUS THROUGH BIOVIA DISCOVERY STUDIO VISUALIZER 21.1.0.0

Main Article Content

Gomathi Swaminathan, Laliteshwar Pratap Singh, Anchal Arora, Mahendra Dwivedi, Anshu Tripathi, Vipul Negi, Sonali Vinod Uppalwar
» doi: 10.31838/ecb/2023.12.s3.091

Abstract

Objective: In different investigations, phytoconstituents of star anise have demonstrated outstanding antiviral activity against diverse viral species. Consequently, the study's goal was to use in-silico methodologies to assess the effectiveness of star anise phytoconstituents against the Marburg virus protein. Method : Auto Dock was employed to test chosen star anise phytochemical molecules on Marburg virus protein, and Discovery Studio visualizer was used to make 3D and 2D interface images. Result : Blind docking all eight phytochemicals revealed that two of the eight phytochemicals created conventional carbon-hydrogen bonds, and that eugenol and Farnesol both formed carbon-hydrogen bonds. The lowest binding energy was determined to be -6.00 kcal/mol for beta -eudesmol. Conclusion : Based on the substantial binding energies of phytoconstituents during blind docking, our findings revealed that star anise phytoconstituents can have a beneficial effect against Marburg virus. Beta eudesmol might be a viable alternative to Marburg virus.

Article Details