Synthesis, α-amylase and α-glucosidase inhibition and molecular docking studies of indazole derivatives

Muhammad Nawaz, Muhammad Taha, Faiza Qureshi, Nisar Ullah, Manikandan Selvaraj, Sumaira Shahzad, Sridevi Chigurupati, Samar A. Abubshait, Tauqir Ahmad, Sampath Chinnam, Soleiman Hisaindee

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Herein, we report the synthesis and inhibitory potential of indazole (Methyl 1H-indazole-4-carboxylate) derivatives (1–13) against α-amylase and α-glucosidase enzymes. The described derivatives demonstrated good inhibitory potential with IC50 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 1H-NMR, 13C-NMR, HR-MS, elemental analysis and FTIR. Communicated by Ramaswamy H. Sarma.

Original languageEnglish
Pages (from-to)10730-10740
Number of pages11
JournalJournal of Biomolecular Structure and Dynamics
Volume40
Issue number21
DOIs
Publication statusPublished - 2022

Keywords

  • FTIR
  • HR-MS
  • Indazole
  • NMR
  • molecular docking
  • spectral studies
  • α-amylase activity
  • α-glucosidase activity

ASJC Scopus subject areas

  • Structural Biology
  • Molecular Biology

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