Exploring N-heterocyclic linked novel hybrid chalcone derivatives: synthesis, characterization, evaluation of antidepressant activity, toxicity assessment, molecular docking, DFT and ADME study
Hemant S. Deshmukh, Vishnu A. Adole, Sanjay B. Wagh, Vijay M. Khedkar, Bapu S. Jagdale
Abstract
][1,2,3]triazol-1-yl-based chalcone derivatives as promising antidepressant agents with a favorable safety profile. Density Functional Theory (DFT) analysis was performed on the most active compound, 13c, to gain insights into its structural and electronic properties. Additionally, ADME (Absorption, Distribution, Metabolism, and Excretion) profiling of the synthesized compounds indicated favorable drug-like characteristics and balanced pharmacokinetic profiles, supporting their potential as promising candidates for further pharmaceutical development.
Topics & Concepts
ChalconeADMEChemistryDocking (animal)Combinatorial chemistryStereochemistryIn vitroBiochemistryMedicineNursingSynthesis and biological activityComputational Drug Discovery MethodsClick Chemistry and Applications