Phenylsulfonylpiperazines as α-Glucosidase enzyme inhibitors: Design, synthesis, DFT calculations, docking and ADME studies
Yükleniyor...
Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Bitlis Eren Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Diabetes mellitus (DM) is one of the most common diseases affecting people all over the world. An important treatment for DM is the inhibition of the α-glucosidase enzyme. A wide range of biological activities of piperazine and sulfonamide moieties are known. In this study, five phenylsulfonyl piperazine derivatives were synthesized. Their inhibitory capacities were evaluated. The analogues (1-5) showed a good degree of inhibition of α-glucosidase enzyme. Compound 1 has the highest inhibition potential for the α-glucosidase enzyme. Its inhibition percentages (83.52±0.41) were higher than the reference molecule quercetin (81.41±0.02). In silico molecular docking studies were performed for the most potent compound 1 for α-glucosidase enzyme to determine possible protein-ligand interactions. Furthermore, a DFT study was carried out for the evaluation of the quantum mechanical and electronic properties. Finally, ADME profiles of the compounds were theoretically analyzed.
Açıklama
Anahtar Kelimeler
Diabetes Mellitus, α-Glucosidase, Sulfonamide, Piperazine, DFT Calculations
Kaynak
Bitlis Eren Üniversitesi Fen Bilimleri Dergisi
WoS Q Değeri
Scopus Q Değeri
Cilt
13
Sayı
3
Künye
Buran, K., İnan, Y., Akyüz, G. S., Dervişoğlu Özdemir, C. & Kocabas, F. (2024). Phenylsulfonylpiperazines as α-Glucosidase enzyme inhibitors: Design, synthesis, DFT calculations, docking and ADME studies. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 13(3), pp. 723–730. https://doi.org/10.17798/bitlisfen.1479292
