Chalcone–sulfonate ester derivatives as dual urease and α-amylase inhibitors: synthesis, biological evaluation and integrated computational studies

RSC Advances 2026 Open access

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Authors: Zobia Noreen, Amina Sadiq, Nafeesa Naeem, Usama Raza, Ishtiaq Ahmed, Samar Y. Al nami, Aisha Hossan, Magdi E. A. Zaki, Ehsan Ullah Mughal
DOI: 10.1039/d6ra02588a
Cited by: 1
References: 42

Abstract

ADME analysis to assess drug-likeness and potential bioavailability. Furthermore, molecular dynamics (MD) simulations were carried out to examine the stability and dynamic behaviour of the ligand-enzyme complexes, while density functional theory (DFT) calculations were employed to explore the electronic characteristics and reactivity parameters of the compounds. The integrated experimental and computational findings highlight the potential of chalcone-sulfonate esters as promising scaffolds for the development of novel urease and α-amylase inhibitors.

Fields of Study & Subjects

Microbial Applications in Construction Materials Synthesis and biological activity Enzyme function and inhibition

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
30
Pages
27915–27936
Publication date
1 January 2026
Language
EN