In silico Evaluation of α-Amylase Inhibitory Activity of Some Commercially Available Flavonoids

Authors

  • Arumugam Madeswaran Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
  • Kuppusamy Asokkumar Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
  • Muthuswamy Umamaheswari Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
  • Thirumalaisamy Sivashanmugam Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
  • Varadharajan Subhadradevi Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
  • Puliyath Jagannath Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.

Keywords:

Acarbose, Diabetes, Binding energy, Inhibition constant, Intermolecular energy

Abstract

Diabetes has become a leading killer disease in recent years. Diabetes mellitus is a metabolic disorder characterized by hyperglycemia resulting from defects in insulin secretion, insulin action or both. The primary objective of this study was to investigate the α-amylase inhibitory activity of flavonoids using in silico docking studies. In this perspective, flavonoids like apigenin, baicalin, fisetin, scopoletin and wogonin were selected. Acarbose, a known α-amylase inhibitor was used as the standard. In silico docking studies were carried out using AutoDock 4.2, based on the Lamarckian genetic algorithm principle. The results showed that all the selected flavonoids showed binding energy ranging between -6.84 kcal/mol to -5.36 kcal/mol when compared with that of the standard (-2.94 kcal/mol). Inhibition constant (9.71 μM to 116.96 μM) and intermolecular energy (-8.03 kcal/mol to -5.96 kcal/mol) of the flavonoids also coincide with the binding energy. All the selected flavonoids showed excellent α-amylase inhibitory activity when compared with the standard because of their structural properties. The α-amylase inhibitory activity of the selected flavonoids was in order of baicalin>apigenin>fisetin>wogonin>scopoletin. These molecular docking analyses could lead to the further development of potential α-amylase inhibitors for the treatment of diabetes.


Keywords: Acarbose, Diabetes, Binding energy, Inhibition constant, Intermolecular energy

Author Biographies

  • Arumugam Madeswaran, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.

    Lecturer,

    Department of Pharmacology

  • Kuppusamy Asokkumar, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
    Professor, Department of Pharmacology
  • Muthuswamy Umamaheswari, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
    Professor, Department of Pharmacology
  • Thirumalaisamy Sivashanmugam, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
    Lectuter, Department of Pharmacology
  • Varadharajan Subhadradevi, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
    Lectuter, Department of Pharmacology
  • Puliyath Jagannath, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Coimbatore, Tamil Nadu, India.
    Lectuter, Department of Pharmacology

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Published

2014-05-19

Issue

Vol. 3 No. 1 (2014)

Section

Research/Review Articles

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