Bharath Srinivasan

TL;DR: Detailed quantitative structure-activity relationship (QSAR) analysis indicated the molecular parameters that contribute to increased potency of inhibition and would further encourage understanding in employing coumarin pyrazole hybrids as potential antibiotic agents for treating infections caused by pathogenic microbes and fungi.

TL;DR: A detailed kinetic and catalytic mechanism of the recombinant His-tagged ASL from Plasmodium falciparum shows a Uni-Bi rapid equilibrium ordered mechanism that allows the use of AICAR or its analogues as inhibitors of PfASL and hence, as novel putative anti-parasitic agents.

TL;DR: PoLi is a hybrid structure and ligand-based VS algorithm that integrates 2D fingerprint-based and 3D shape-based similarity metrics for improved virtual screening performance and Experimental validation of PoLi predictions on dihydrofolate reductase, DHFR, identifies multiple ligands with diverse molecular scaffolds, thus demonstrating the advantage of Po Li over current state-of-the-art VS methods.

TL;DR: Agarose, a naturally occurring biopolymer is used for the stabilization of metal, semiconductor nanoparticles as discussed by the authors, which shows excellent antibacterial activity against E. coli bacteria.

TL;DR: This work demonstrates that the mode of binding of the inhibitor to the enzyme–NADPH binary complex conforms to the slow‐onset, tight‐binding model and provides novel insights into the role of substitutions on inhibitors of E. coli DHFR.