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  3. Syntheses, in vitro α-amylase and α-glucosidase dual inhibitory activities of 4-amino-1,2,4-triazole derivatives their molecular docking and kinetic studies

Syntheses, in vitro α-amylase and α-glucosidase dual inhibitory activities of 4-amino-1,2,4-triazole derivatives their molecular docking and kinetic studies

  • Bioorg Med Chem. 2020 Jun 1;28(11):115467. doi: 10.1016/j.bmc.2020.115467.
Emmanuel Oloruntoba Yeye 1,  Kanwal 2,  Khalid Mohammed Khan 3,  Sridevi Chigurupati 4,  Abdul Wadood 5,  Ashfaq Ur Rehman 5,  Shahnaz Perveen 6,  Mari Kannan Maharajan 7,  Shahbaz Shamim 2,  Shehryar Hameed 2,  Sherifat A Aboaba 8,  Muhammad Taha 9
Affiliations

Affiliations

  • 1 H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan; Organic Unit, Chemistry Department, University of Ibadan, Nigeria.
  • 2 H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
  • 3 H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan; Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia. Electronic address: khalid.khan@iccs.edu.
  • 4 Department of Medicinal Chemistry and Pharmacognosy, Faculty of Pharmacy, Qassim University, Buraidah 52571, Saudi Arabia.
  • 5 Department of Biochemistry, Computational Medicinal Chemistry Laboratory, UCSS, Abdul Wali Khan University, Mardan, Pakistan.
  • 6 PCSIR Laboratories Complex, Karachi, Shahra-e-Dr. Salimuzzaman Siddiqui, Karachi 75280, Pakistan.
  • 7 School of Pharmacy, International Medical University, Kuala Lumpur 57000, Malaysia.
  • 8 Organic Unit, Chemistry Department, University of Ibadan, Nigeria.
  • 9 Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia.
PMID: 32327353 DOI: 10.1016/j.bmc.2020.115467
Abstract

Thirty-three 4-amino-1,2,4-triazole derivatives 1-33 were synthesized by reacting 4-amino-1,2,4-triazole with a variety of benzaldehydes. The synthetic molecules were characterized via1H NMR and EI-MS spectroscopic techniques and evaluated for their anti-hyperglycemic potential. Compounds 1-33 exhibited good to moderate in vitro α-amylase and α-glucosidase inhibitory activities in the range of IC50 values 2.01 ± 0.03-6.44 ± 0.16 and 2.09 ± 0.08-6.54 ± 0.10 µM as compared to the standard acarbose (IC50 = 1.92 ± 0.17 µM) and (IC50 = 1.99 ± 0.07 µM), respectively. The limited structure-activity relationship suggested that different substitutions on aryl part of the synthetic compounds are responsible for variable activity. Kinetic study predicted that compounds 1-33 followed mixed and non-competitive type of inhibitions against α-amylase and α-glucosidase Enzymes, respectively. In silico studies revealed that both triazole and aryl ring along with different substitutions were playing an important role in the binding interactions of inhibitors within the Enzyme pocket. The synthetic molecules were found to have dual inhibitory potential against both Enzymes thus they may serve as lead candidates for the drug development and research in the future studies.

Keywords

Anti-hyperglycemic activity; Dual inhibitors; Triazoles; α-Amylase; α-Glucosidase.

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