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Identification of natural inhibitors against angiotensin I converting enzyme for cardiac safety using induced fit docking and MM-GBSA studies

Vijayakumar B 1 , Parasuraman S 2 , Raveendran R 3 , Velmurugan D 4

Affiliations 

  • 1 Centre of Advanced Study in Crystallography and Biophysics, University of Madras, University of Madras, Maraimalai (Guindy) Campus, Chennai, India
  • 2 Department of Pharmacology, Jawaharlal Institute of Postgraduate Medical Education and Research, Pondicherry, India ; Pharmacology Unit, Faculty of Pharmacy, Asian Institute of Medicine, Science and Technology University, Bedong Semeling Road, Bedong, 08100, Kedah, Malaysia, India
  • 3 Department of Pharmacology, Jawaharlal Institute of Postgraduate Medical Education and Research, Pondicherry, India
  • 4 Centre of Advanced Study in Crystallography and Biophysics, University of Madras, University of Madras, Maraimalai (Guindy) Campus, Chennai, India ; Bioinformatics Infrastructure Facility, University of Madras, Maraimalai (Guindy) Campus, Chennai, India
Pharmacogn Mag, 2014 Aug;10(Suppl 3):S639-44.
PMID: 25298685 DOI: 10.4103/0973-1296.139809

Abstract

Cleistanthins A and B are isolated compounds from the leaves of Cleistanthus collinus Roxb (Euphorbiaceae). This plant is poisonous in nature which causes cardiovascular abnormalities such as hypotension, nonspecific ST-T changes and QTc prolongation. The biological activity predictions spectra of the compounds show the presence of antihypertensive, diuretic and antitumor activities.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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