Synthesis, multi-target evaluation and DFT analysis of 6-hydroxychromone derived hydrazones with carbonic anhydrase I–II/acetylcholinesterase inhibition and antioxidant activity

RSC Advances 2026 Open access

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Authors: Wajeeha Zareen, Nadeem Ahmed, Feyzi Sinan Tokalı, Talha Islam, Mariya al-Rashida, Ayşe Merve Şenol, Orhan Uluçay, Ahmed M. Tawfeek, Parham Taslimi, Zahid Shafiq, MW Islam
DOI: 10.1039/d5ra10080a
Cited by: 8
References: 48

Abstract

values ranging from 52.36 to 60.84 µM. Molecular docking studies described the nature of binding affinities between the synthesized compounds and enzyme targets. DFT-based FMO, MEP, and reactivity analyses demonstrated that the chromone-hydrazone derivatives exhibit narrow HOMO-LUMO gaps and well-defined electrostatic surfaces, supporting their suitability for efficient charge transfer and biological interaction. Moreover, computational simulations and ADME analysis proved that all of the synthesized molecules were druggable with good inhibitory potential.

Fields of Study & Subjects

Enzyme function and inhibition Cholinesterase and Neurodegenerative Diseases Synthesis of Organic Compounds

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
10
Pages
8807–8827
Publication date
1 January 2026
Language
EN