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Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
Authors:Shaban Ahmad  Piyush Bhanu  Jitendra Kumar  Ravi Kant Pathak  Dharmendra Mallick  Akshay Uttarkar  Vidya Niranjan  Vachaspati Mishra
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.
Keywords:NF-κ  B, molecular dynamics simulation, COVID-19, SARS-CoV2, sulindac sodium
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