Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid.
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ABSTRACT:
SUBMITTER: Ahmad S
PROVIDER: S-EPMC9722428 | biostudies-literature | 2022
REPOSITORIES: biostudies-literature
Publications
Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid.
Ahmad Shaban S Bhanu Piyush P Kumar Jitendra J Pathak Ravi Kant RK Mallick Dharmendra D Uttarkar Akshay A Niranjan Vidya V Mishra Vachaspati V
Bioinformation 20220331 3
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. ...[more]
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