HPAA inhibitory effect of embelin and its metal complexes on diabetic complications

An approach with molecular docking studies

Saba Maanvizhi, Radhakrishnan Narayanaswamy, Kok Wai Lam, Arumugam Gnanamani

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The occurrence of diabetes mellitus in the world's population is increasing every year. Most of the currently available synthetic therapeutic agents are associated with undesirable side effects. Moreover, inhibitors of pancreatic alpha-amylase are gaining much attention among the researchers owing to its therapeutic application in diabetic control and treatment. The primary objective of this study was to investigate the docking behaviour of human pancreatic alpha-amylase (HPAA) with Embelin, Vilangin, 5-O-methyl embelin, Quercetin, Metformin, Copper & Zinc embelin complexes and studying their putative binding sites using Discovery Studio Version 3.1. Docking studies and binding free energy calculations revealed that Zinc-embelin complex has maximum interaction energy (-44.6 kcal/mol) and Metformin with the least interaction energy (-13.1 kcal/mol) as compared to the other investigated ligands. Interestingly, Copper-embelin complex fails to dock with that of human pancreatic alpha amylase. Therefore, it is strongly suggested that the present study outcomes might provide new insight in understanding these six ligands, as potential candidates for human pancreatic alpha-amylase inhibitory activity.

Original languageEnglish
Pages (from-to)679-682
Number of pages4
JournalJournal of Chemical and Pharmaceutical Research
Volume6
Issue number2
Publication statusPublished - 2014

Fingerprint

Pancreatic alpha-Amylases
Coordination Complexes
Diabetes Complications
Metformin
Zinc
Copper
Ligands
Quercetin
Diabetes Mellitus
Binding Sites
Research Personnel
Outcome Assessment (Health Care)
embelin
Therapeutics
Population

Keywords

  • Diabetes mellitus
  • Docking
  • Herbal ligands
  • Inhibitors
  • Metal complexes

ASJC Scopus subject areas

  • Pharmaceutical Science

Cite this

HPAA inhibitory effect of embelin and its metal complexes on diabetic complications : An approach with molecular docking studies. / Maanvizhi, Saba; Narayanaswamy, Radhakrishnan; Lam, Kok Wai; Gnanamani, Arumugam.

In: Journal of Chemical and Pharmaceutical Research, Vol. 6, No. 2, 2014, p. 679-682.

Research output: Contribution to journalArticle

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