Rational design of phenyl 2,4,5-trichlorobenzenesulfonate based thiosemicarbazones as α-glucosidase and α-amylase inhibitors: integrating enzymatic evaluation and molecular modeling
Yazarlar (11)
Faıqa Noreen
Bahauddin Zakariya University, Pakistan
Bahauddin Zakariya University, Pakistan
Magdı E. A. Zakı
Imam Mohammad Ibn Saud Islamic University, Suudi Arabistan
Imam Mohammad Ibn Saud Islamic University, Suudi Arabistan
Dr. Öğr. Üyesi Nastaran Sadeghıan Bartın Üniversitesi, Türkiye
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
Doç. Dr. Parham Taslımı Bartin Üniversitesi, Türkiye
Rıma D. Alharthy
King Abdulaziz University, Suudi Arabistan
King Abdulaziz University, Suudi Arabistan
Doç. Dr. Halil Şenol Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Xıanlıang Zhao
Zhejiang University of Science And Technology, Çin
Zhejiang University of Science And Technology, Çin
Arş. Gör. Furkan Çakır Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Sobhı M. Gomha
Islamic University of Madinah, Suudi Arabistan
Islamic University of Madinah, Suudi Arabistan
Zahıd Shafıq
Bahauddin Zakariya University, Pakistan
Bahauddin Zakariya University, Pakistan
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Rsc Advances (Q2) | ||
| Dergi ISSN | 2046-2069 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2026 |
| Cilt / Sayı / Sayfa | 16 / 2 / 1662–1681 | DOI | 10.1039/d5ra08761a |
| Makale Linki | https://doi.org/10.1039/d5ra08761a | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The present study aimed to investigate the antidiabetic potential of a new series of thiosemicarbazone derivatives through integrated in vitro enzymatic assays and in silico molecular modeling. The synthesized compounds were evaluated for their inhibitory activities against α-glucosidase (α-Glu) and α-amylase (α-Amy) enzymes. Among the tested derivatives, compound 16 (2-chlorophenyl-substituted) demonstrated the most potent dual inhibition with IC50 values of 14.58 nM (α-Glu) and 88.37 nM (α-Amy), surpassing the reference drug acarbose in potency. Molecular docking analyses revealed that compound 16 formed stable interactions with Asn-214, Glu-276, Phe-157, and Tyr-71 in the α-Glu and Asp-197, Glu-233, and Lys-200 in α-Amy's active site. These key interactions were further supported by 250 ns molecular dynamics simulations, confirming the conformational stability of both complexes with average … |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 6 |
| Scopus | 6 |
| Google Scholar | 6 |