Ravi Rawat

TL;DR: In this article, molecular dynamics simulations (MDS) using GROMACS are among the commonly used computational experiments in the area of molecular biology and drug discovery, and they are used for both drug discovery and molecular biology applications.

TL;DR: Natural chemical entities from multiple databases were virtually screened for their binding affinity as chymase inhibitors, a promising negotiator for prolong survival against JEV tempted encephalitis, and might potentially represent remarkable novel classes with an effective chym enzyme mediated treatment to combat JEV induced encephalopathy.

TL;DR: The pharmacophoric features of MMV007571 may serve as a template for the design of novel series of more potent multitarget inhibitors against Plasmodium falciparum and may contribute to inhibition of the oxidation (catalytic) process.

TL;DR: High throughput virtual screening involving pharmacophore mapping, ADME filtering, molecular docking, and MM-GBSA calculations led to the identification of two new hits namely DT00V1902 and DT00v1922 which binds with more stable ΔG Bind energy at two targets than the lead molecule, MMV007571.

TL;DR: Due to the wide range of applications in medicinal chemistry, imidazo[1,2-a]pyridines have attracted extensive interest in synthetic organic chemistry as mentioned in this paper.