Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid.

ABSTRACT: It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid class that is marketed by Merck under the brand name Clinoril. We show the binding features of sulindac sodium with NF-κB that can be useful in drug repurposing in COVID-19 therapy.

SUBMITTER: Ahmad S 

PROVIDER: S-EPMC9722428 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature