دورية أكاديمية
Synthesis of thiazolidine-2,4-dione tethered 1,2,3-triazoles as α-amylase inhibitors: In vitro approach coupled with QSAR, molecular docking, molecular dynamics and ADMET studies.
| العنوان: | Synthesis of thiazolidine-2,4-dione tethered 1,2,3-triazoles as α-amylase inhibitors: In vitro approach coupled with QSAR, molecular docking, molecular dynamics and ADMET studies. |
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| المؤلفون: | Singh R; Department of Chemistry, Kurukshetra University, Kurukshetra, 136119, Haryana, India; School of Chemistry, Indian Institutes of Science Education and Research, Thiruvananthapuram, Kerala, 695551, India., Sindhu J; Department of Chemistry, COBS&H, CCS Haryana Agricultural University, Hisar, 125004, India., Devi M; Department of Chemistry, Kurukshetra University, Kurukshetra, 136119, Haryana, India., Kumar P; Department of Chemistry, Kurukshetra University, Kurukshetra, 136119, Haryana, India. Electronic address: parvinchem@kuk.ac.in., Lal S; Department of Chemistry, Kurukshetra University, Kurukshetra, 136119, Haryana, India., Kumar A; Department of Pharmaceutical Sciences, GJUS&T, Hisar, -125001, India., Singh D; Department of Chemistry, Maharshi Dayanand University, Rohtak, India, 124001., Kumar H; Department of Chemistry, School of Basic Sciences, Central University Haryana, Mahendergarh, India. |
| المصدر: | European journal of medicinal chemistry [Eur J Med Chem] 2024 Sep 05; Vol. 275, pp. 116623. Date of Electronic Publication: 2024 Jun 25. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Paris : Editions Scientifiques Elsevier Original Publication: Paris, S.E.C.T. [etc.] |
| مواضيع طبية MeSH: | Triazoles*/chemistry , Triazoles*/pharmacology , Triazoles*/chemical synthesis , Molecular Docking Simulation* , alpha-Amylases*/antagonists & inhibitors , alpha-Amylases*/metabolism , Molecular Dynamics Simulation* , Quantitative Structure-Activity Relationship* , Thiazolidinediones*/chemistry , Thiazolidinediones*/chemical synthesis , Thiazolidinediones*/pharmacology, Molecular Structure ; Dose-Response Relationship, Drug ; Humans |
| مستخلص: | A new series of thiazolidine-2,4-dione tethered 1,2,3-triazole derivatives were designed, synthesized and screened for their α-amylase inhibitory potential employing in vitro and in silico approaches. The target compounds were synthesized with the help of Cu (I) catalyzed [3 + 2] cycloaddition of terminal alkyne with numerous azides, followed by unambiguously characterizing the structure by employing various spectroscopic approaches. The synthesized derivatives were assessed for their in vitro α-amylase inhibition and it was found that thiazolidine-2,4-dione derivatives 6e, 6j, 6o, 6u and 6x exhibited comparable inhibition with the standard drug acarbose. The compound 6e with a 7-chloroquinolinyl substituent on the triazole ring exhibited significant inhibition potential with IC Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (Copyright © 2024 Elsevier Masson SAS. All rights reserved.) |
| فهرسة مساهمة: | Keywords: 1,2,3-Triazole; ADMET; Molecular docking; Molecular dynamics; QSAR; Thiazolidine-2,4-dione |
| المشرفين على المادة: | 0 (Triazoles) EC 3.2.1.1 (alpha-Amylases) 0 (Thiazolidinediones) 0 (thiazolidine-2,4-dione) |
| تواريخ الأحداث: | Date Created: 20240629 Date Completed: 20240710 Latest Revision: 20240712 |
| رمز التحديث: | 20240713 |
| DOI: | 10.1016/j.ejmech.2024.116623 |
| PMID: | 38943875 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1768-3254 |
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| DOI: | 10.1016/j.ejmech.2024.116623 |