Toward hierarical virtual screening in identifying novel nearaminidae inhibitors: Similarity search, Pharmacophore Modeling & Molecular docking Study

  • 13 Jul 2024
  • Ongoing Research - Pharmacy

Huda Mando

Researchers

Post Graduate Studies & Research Council Meeting No. 5, 20/5/2024

Date of Acceptance

 


Influenza virus neuraminidase (NA) plays an essential role in release and spread of virions, following the intracellular viral replication cycle. It is believed that the major function of viral neuraminidase (NA) is at the final stage of infection when NA cleaves sialic acid from cell surface and progeny virions facilitating virus release from infected cells. Most neuraminidase inhibitors show promising results in reducing overall mortality with prompt treatment and its usage has since been on the rise. The limited number of drugs used and the emergence of viral resistance make it necessary to find new inhibitors. Computational studies are speeding up the discovery of promising molecules that could serve as the basis for later in vitro tests. Bioinformatics tools make it possible to search within the evidence bases for these promising molecules, and the study of molecular docking enables an understanding of the mechanism of action of these compounds and the interactions they have in the active binding site of the enzyme.

Abstract