Active and Allosteric Site Binding MOLECULAR MECHANICS-QUANTUM MECHANICS studies of STEVIOSIDE Derivative in PCSK9 Protein Intended to provide a safe Antilipidemic agent
N Irfan, Prakash Vaithyanathan, Harishchander Anandaram, S Mohammed Zaidh, S. Priya Varshini, Ayarivan Puratchikody
The paper evaluates the PCSK9 antagonistic effect of a Stevioside derivative and Atorvastatin using molecular docking and MD simulations, finding the derivative has higher binding affinity in both active and allosteric sites.
bioRxiv · May 4, 2023 · PreprintBioinformatics