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Molecular Mechanics Potential Energy Function of Angiotensin-Converting Enzyme (ACE) Inhibitor, Lisinopril


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1 Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Nigeria
     

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Lisinopril (N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline) is a drug of the angiotensin-converting enzyme (ACE) inhibitor class used primarily in treatment of hypertension, congestive heart failure, and heart attacks, and also in preventing renal and retinal complications of diabetes. Molecular mechanics potential energy function of Lisinopril was performed by conformational analysis and geometry optimization method using ArgusLab 4.0.1 software. The minimum potential energy was calculated by geometry convergence function. The most feasible potential energy for lisinopril to act as angiotensin-converting enzyme (ACE) inhibitor was found to be 78.73178401 kcal/mol.

Keywords

Angiotensin-Converting Enzyme, Lisinopril, Arguslab 4.0.1, Potential Energy, Geometry Optimization.
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  • Lisinopril - Wikipedia, the free encyclopedia.URL: http://www.wikipedia.org/2014.
  • Pollare T et al. Comparison of the effects of hydrochlorothiazide and captopril on glucose and lipid metabolism in patients with hypertension. N Engl J Med. 321; 1989: 321:868-873.
  • Pollare T et al. Sensitivity to insulin during treatment with atenolol and metoprolol: a randomized, double-blind study of effects on carbohydrate and lipoprotein metabolism in patients with hypertension. N Engl J Med.,321; 1989: 868-873.
  • Falkner B et al. Effect of angiotensin converting enzyme inhibitor (lisinopril) on insulin sensitivity and sodium transport in mild hypertension. Am J Hypertens. 8;1995:8:454-460.
  • Paolisso G et al. ACE-inhibition improves insulin sensitivity in aged insulin resistant hypertensive patients. J Human Hypertens.6; 1992:175-179.
  • Torlone E etal. Improved insulin action and glycemic control after long-term angiotensin converting enzyme inhibition in subjects with arterial hypertension and type II diabetes. Diabetes Care. 16; 1993: 1347-1355.
  • Shamiss et al. The effect of enalapril with and without hydrochlorothiazide on insulin sensitivity and other metabolic abnormalities of hypertensive patients with NIDDM. Am J. Hypertens. 8; 1995: 276-281.
  • Patchett A et al. "A new class of angiotensin-converting enzyme inhibitors". Nature 288 (5788); 1980: 280-300.
  • "Hyperkalemia in the use of Lisinopril, who, when, how?".URL:http://www. eHealthMe.org/2010.
  • "Lisinopril". US Marketed DrugsURL: http://www.drugsdb.eu./2014.
  • AstraZeneca. "ZESTRIL (lisinopril) product insert".URL: http://www. accessdata.fda.gov/2011.
  • Mark AT. Planaria Software LLC, Seattle, WA 2003.URL: http://www.arguslab.com
  • Peng C (1995).Using redundant internal coordinates to optimize equilibrium geometries and transition states. J. Comp.Chem., 16; 1995: 49-51.
  • Khalida B. Computer aided drug designing of imidazole free acyl piparazine derivative as a histamine H3 receptor antagonist, Pak. J. Biochem. Mol. Biol., 45(3);2012: 154-158.
  • Mackerell AD et al. An All Atom Empirical Energy for the simulation of Nucleic Acids, J.Am. Chem. Soc. 117; 1995: 11946-11975.
  • Mackerell AD Et a. All-atom Empirical Potential for Molecular Modelling and Dynamics Studies of Proteins. J. Phys. Chem. 102; 1998: 3586 - 3616.
  • Schlenkrich M et al. An Empirical Potential Energy Function for Phospholipids: Criteria for Parameter Optimzation and Applications, in Biological Membranes: A molecularPerspective from Computation and Experiment , Birkhauser , 1996: 31-81.
  • Ha S.N. A revised potential energy surface for molecular mechanics studies of carbohydrates, Carbohydr. Res. 180(2); 1988 : 207-221.
  • Dewar MJS et al. AM1: A new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 107: 1985; 3902-3910.
  • Afshan N, Conformational analysis (Geometry optimization) of nucleosidic antitumor antibiotic showdomycin by Arguslab 4 Software, Pak. J. Pharm. Sci., 22(1); 2009: 78-82.

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  • Molecular Mechanics Potential Energy Function of Angiotensin-Converting Enzyme (ACE) Inhibitor, Lisinopril

Abstract Views: 134  |  PDF Views: 4

Authors

I. E. Otuokere
Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Nigeria

Abstract


Lisinopril (N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline) is a drug of the angiotensin-converting enzyme (ACE) inhibitor class used primarily in treatment of hypertension, congestive heart failure, and heart attacks, and also in preventing renal and retinal complications of diabetes. Molecular mechanics potential energy function of Lisinopril was performed by conformational analysis and geometry optimization method using ArgusLab 4.0.1 software. The minimum potential energy was calculated by geometry convergence function. The most feasible potential energy for lisinopril to act as angiotensin-converting enzyme (ACE) inhibitor was found to be 78.73178401 kcal/mol.

Keywords


Angiotensin-Converting Enzyme, Lisinopril, Arguslab 4.0.1, Potential Energy, Geometry Optimization.

References