Insight into Molecular Interaction between Viral Envelop Protein VP26 and Eco‐Friendly Phytochemical Quercetin

Abstract

AbstractWhite spot disease (WSD) is one of the most devastating diseases that has deteriorated shrimp production since past several decades. It is caused by white spot syndrome virus (WSSV) in almost all the species of shrimps across the globe. Understanding the complete disease mechanism and postulating a consolidated drug/antiviral is still under way. The major envelop proteins that assist the virus to penetrate into the shrimp are VP28, VP26, VP24, and VP19. VP26 a major constituent of the envelope plays a significant role in maintaining the structure of the envelope as well as helps the virus instigate the infection. The drugs and antiviral used to treat any viral infection conventionally efflux several toxic by‐products that degrade the structural properties of the environment. Since quercetin is a natural product obtained from plant sources, hence its degradation does not leave any toxic residues in the environment. This study has tried to understand the structural aspects of the viral envelop protein VP26. Additionally, the study has also tried to understand the interaction of a flavonoid quercetin with VP26. Computational approaches are used to explore the binding cavity of VP26 as well as trace the amino acid interactions shown by quercetin inside the binding cavity of VP26. The study reveals that quercetin shows good compatibility with VP26. Thus, using quercetin as an antiviral and mapping more detailed interaction of VP26‐quercetin can open pathway for development of antiviral against white spot disease.