Phenylsulfonylpiperazines as α-Glucosidase enzyme inhibitors: Design, synthesis, DFT calculations, docking and ADME studies

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dc.authorid0000-0002-7783-7533
dc.authorid0000-0002-3253-0124
dc.authorid0000-0002-8455-8970
dc.authorid0000-0001-8603-3820
dc.authorid0000-0001-8096-6056
dc.contributor.authorBuran, Kerem
dc.contributor.authorİnan, Yiğit
dc.contributor.authorAkyüz, Gülşah Selin
dc.contributor.authorDervişoğlu Özdemir, Celile
dc.contributor.authorKocabaş, Fatih
dc.date.accessioned2024-10-17T13:25:27Z
dc.date.available2024-10-17T13:25:27Z
dc.date.issued2024
dc.departmentFakülteler, Eczacılık Fakültesi, Eczacılık Meslek Bilimleri Bölümü, Analitik Kimya Ana Bilim Dalı
dc.description.abstractDiabetes 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.
dc.description.sponsorshipUniversity of Health Sciences, unit of scientific research project (BAP) -- Project No:2020/040.
dc.identifier.citationBuran, 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
dc.identifier.doi10.17798/bitlisfen.1479292
dc.identifier.endpage730
dc.identifier.issn2147-3129
dc.identifier.issn2147-3188
dc.identifier.issue3
dc.identifier.startpage723
dc.identifier.trdizinid1267345
dc.identifier.urihttps://doi.org/10.17798/bitlisfen.1479292
dc.identifier.urihttps://hdl.handle.net/20.500.13055/826
dc.identifier.volume13
dc.indekslendigikaynakTR-Dizin
dc.institutionauthorDervişoğlu Özdemir, Celile
dc.institutionauthorid0000-0001-8603-3820
dc.language.isoen
dc.publisherBitlis Eren Üniversitesi
dc.relation.ispartofBitlis Eren Üniversitesi Fen Bilimleri Dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectDiabetes Mellitus
dc.subjectα-Glucosidase
dc.subjectSulfonamide
dc.subjectPiperazine
dc.subjectDFT Calculations
dc.titlePhenylsulfonylpiperazines as α-Glucosidase enzyme inhibitors: Design, synthesis, DFT calculations, docking and ADME studies
dc.typeArticle
dspace.entity.typePublication

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