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Alpha- Glucosidase Inhibition Analysis and in Silico Studies of New Tetrahydroquinazolin-4(1H)-One Derivatives Publisher



Tajmirriahi A1 ; Hosein Sayahi M2 ; Nazari Montazer M3 ; Shemirani F1 ; Mirzazadeh R4
Authors
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Authors Affiliations
  1. 1. School of Chemistry, College of Science, University of Tehran, Tehran, Iran
  2. 2. Department of Chemistry, Payame Noor University, Tehran, Iran
  3. 3. Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran, Iran
  4. 4. Biochemistry Department, Pasteur Institute of Iran, Tehran, Iran

Source: Results in Chemistry Published:2024


Abstract

In this work, a new series 3-phenylamine-2,3-dihydroquinazolin-4(1H)-one-phenoxy-acetamid derivatives 7a-m was designed using by hybridization of effective pharmacophores of the potent anti-α-glucosidase agents. These compounds were synthesized by the simple and efficient chemical reactions and evaluated for their inhibitory activity against α-glucosidase. Our results demonstrated that all derivatives 7a-m were more active than positive control. Particularly, compound 7h as the most potent compound was 63.2-folds more potent than positive control. Kinetic study revealed that compound 7 h was a competitive α-glucosidase inhibitor. Furthermore, docking and dynamics of compound 7h were studied. The latter in silico studied demonstrated that compound 7h with a favorable binding energy occupied the active site of α-glucosidase. © 2024