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Synthesis, α-amylase and α-glucosidase inhibition and molecular docking studies of indazole derivatives.
- Source :
-
Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022; Vol. 40 (21), pp. 10730-10740. Date of Electronic Publication: 2021 Aug 31. - Publication Year :
- 2022
-
Abstract
- Herein, we report the synthesis and inhibitory potential of indazole (Methyl 1 H -indazole-4-carboxylate) derivatives ( 1-13 ) against α-amylase and α-glucosidase enzymes. The described derivatives demonstrated good inhibitory potential with IC <subscript>50</subscript> values, ranging between 15.04 ± 0.05 to 76.70 ± 0.06 µM ± SEM for α-amylase and 16.99 ± 0.19 to 77.97 ± 0.19 µM ± SEM for α-glucosidase, respectively. In particular, compounds ( 8 - 10 and 12 ) displayed significant inhibitory activities against both the screened enzymes, with their inhibitory potential comparable to the standard acarbose (12.98 ± 0.03 and 12.79 ± 0.17 µM ± SEM, respectively). Additionally, the influence of different substituents on enzyme inhibition activities was assessed to study the structure activity relationships. Molecular docking simulations were performed to rationalize the binding of derivatives/compounds with enzymes. All the synthesized derivatives ( 1-13 ) were characterized with the aid of spectroscopic instruments such as <superscript>1</superscript> H-NMR, <superscript>13</superscript> C-NMR, HR-MS, elemental analysis and FTIR.Communicated by Ramaswamy H. Sarma.
Details
- Language :
- English
- ISSN :
- 1538-0254
- Volume :
- 40
- Issue :
- 21
- Database :
- MEDLINE
- Journal :
- Journal of biomolecular structure & dynamics
- Publication Type :
- Academic Journal
- Accession number :
- 34463216
- Full Text :
- https://doi.org/10.1080/07391102.2021.1947892