Parvin Kumar

TL;DR: The predictive potential of QSAR models of FAK inhibitors was explored by applying the index of ideality of correlation (IIC), which is a new criterion for the prediction of the potential for quantitative structure–property activity relationships (QSPRs/QSARs).

TL;DR: This work set out to rationally develop α-amylase inhibitors based on the thiazolidine-4-one scaffold and synthesized five newly synthesized hybrids with potential inhibitory properties as revealed through in vitro α-Amylase inhibition activity.

TL;DR: The current research describes the development of hybrid optimal descriptors-based quantitative structure–activity relationship (QSAR) models intended for a set of 62 FBPase inhibitors with the Monte Carlo method.

TL;DR: The design and synthesis of some novel acyl hydrazone based molecular hybrids of 1,4-dihydropyridine and pyrazole (5a–g) and the inhibition of falcipain-2 is indicated as the probable reason for the antimalarial potency of compound 5d.

TL;DR: The docking simulation of most active compounds (4g and 4h) were performed within the active site of Aspergillus oryzae α-amylase to analyse the binding conformation and interactions responsible for their activity, and it was found that the binding interactions found between 4g, 4h and α-Amylase were similar to those responsible for α-AMylase inhibition by acarbose.