Rational design of phenyl 2,4,5-trichlorobenzenesulfonate based thiosemicarbazones as α-glucosidase and α-amylase inhibitors: integrating enzymatic evaluation and molecular modeling

Noreen, Faiqa; Zaki, Magdi E. A.; Sadeghian, Nastaran; Tokalı, Feyzi Sinan; Taslımı, Parham; Alharthy, Rima D.; Şenol, Halil; Zhao, Xianliang; Çakır, Furkan; Gomha, Sobhi M.; Shafiq, Zahid

doi:10.1039/d5ra08761a

articleRSC AdvancesJan 1, 2026GOLD OA

Rational design of phenyl 2,4,5-trichlorobenzenesulfonate based thiosemicarbazones as α-glucosidase and α-amylase inhibitors: integrating enzymatic evaluation and molecular modeling

FNFaiqa Noreen MEMagdi E. A. Zaki NSNastaran Sadeghian FSFeyzi Sinan Tokalı PTParham Taslımı

Bahauddin Zakariya University · Imam Mohammad ibn Saud Islamic University · +6 more institutions

PubMed

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Abstract

Findings highlight compound 16 as a promising lead candidate for further optimization and development as a dual α-Glu and α-Amy inhibitor for the management of type 2 diabetes mellitus.

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Topics & keywords

Topics

Keywords

ADME
Molecular model
Rational design
Lead compound
Molecular dynamics
Semicarbazone
Drug design
Enzyme

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