Biologically potent organotin(iv) complexes ofN-acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies

Abstract

Novel organotin(iv) complexes of N-acetylated β-amino acids were synthesized and characterized by different techniques. The molecular docking, in vitro α-glucosidase inhibitory, and in vivo antidiabetic activity studies were carried out.

Essential Oils of Alpinia vietnamica Rhizomes and Leaves: Chemical Composition, Cytotoxicity, α-Glucosidase Inhibition, and Molecular Docking Approach

“…28 The structure of α-glucosidase enzyme was obtained from the RCSB Protein Data Bank and prepared according to previous research. 17…”

“…Hence, they were subjected to molecular docking study to consider their binding potentials with the target α-glucosidase enzyme (PDB-3WY1, a crystal structure model of α-glucosidase was built and used extensively for the docking simulations). 17 Analysis of the interactions in the highest affinity binding complexes provided profound insights into the mechanism of inactivation or inhibitory capability against the target α-glucosidase enzyme. AutoDock Vina v1.2.3 was utilized to conduct the molecular docking study.…”

“…28 The structure of α-glucosidase enzyme was obtained from the RCSB Protein Data Bank and prepared according to previous research. 17 For the docking simulation, the parameters included the grid center coordinates based on the active site region of the…”

Synthesis, characterization, and anticancer potential of pyrene-appended Schiff base tin(iv) complexes: experimental and computational insights

“…6–8 Moreover, organotin compounds have demonstrated potential as cancer chemotherapeutic agents, attributed to their ability to induce apoptosis and their lipophilic nature. 9–17 This has prompted significant research efforts towards the design of organotin( iv ) complexes as potential anticancer agents, aiming to enhance their therapeutic efficacy through selective cytotoxicity against cancer cells. 11–18…”

“…9–17 This has prompted significant research efforts towards the design of organotin( iv ) complexes as potential anticancer agents, aiming to enhance their therapeutic efficacy through selective cytotoxicity against cancer cells. 11–18…”