Design, evaluation, cytotoxic activity, molecular docking, ADMET analysis, and dynamic simulations and the preparation of new isoxazoles, thiazoles, 1,3-thiazines, and thiazolopyrimidines derived from quinoline-pyridopyrimidines.

ABSTRACT:

Context

Quinoline, isoxazole, and pyridothiazolopyrimidinone derivatives are novel compounds with significant biological activity, exhibiting anticancer properties and holding promising therapeutic applications.

Objective

This investigation synthesized new heterocyclic compounds in high yields from quinoline-2-thioxo-pyridopyrimidinone and assessed their anticancer activities. Additionally, it conducted molecular docking, ADMET analysis, and molecular dynamics simulations.

Materials and methods

A new series of quinoline-pyridothiazolopyrimidine derivatives has been synthesized using advanced techniques. The structures of the new compounds were confirmed using IR, NMR, MS and elemental analysis. All compounds were tested in vitro for their anticancer activity.

SUBMITTER: Abu-Hashem AA 

PROVIDER: S-EPMC12366517 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature