Indian Journal of Bioinformatics and Biotechnology

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In silico Analysis of Compounds with Hypoglycaemic Potential


Affiliations
1 Department of Biotechnology, G.B Pant Engineering College, Pauri Garhwal, Uttarakhand-246194, India
 

Objective: To find digestive enzyme inhibitors as the therapeutic approach to deal with the management of diabetes mellitus.

Methods: In this study, we had in silico, analysed the anti-diabetic activity of the commercially available drugs used for diabetes treatment and few compounds which may have a potential to treat the disease. The main studied compounds are miglitol, voglibose, metformin, acetohexamide, squalene, stearic acid, heptacosanol, stigmasterol. The compounds were predicted for their biological properties based on their chemical structures as well as drug like activities. The compounds were docked with the digestive enzyme α- amylase and hydrogen bondings were revealed to study the relative stability of the complexes, which may result in the enzyme inhibition.

Findings: It may be concluded that if we succeed in achieving enzyme inhibition by a compound, then the compound may prevent the breakdown of carbohydrates into glucose in the body, thus maintaining the appropriate blood glucose levels.

Application: Compounds acting as digestive enzyme inhibitors could help in control of diabetes mellitus by delaying the release of post-prandial glucose level in the blood.


Keywords

Diabetes Mellitus, Drugs, PASS.
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  • WHO Traditional medicine strategy 2002–2005. WHO Publications. 2002, 1-6.

  • Y.V. Burov, V.V. Poroikov, L.V. Korolchenko. National system for registration and biological testing of chemical compounds: facilities for new drugs search. Bull. Natl. Centre for Biologically Active Compounds. 1990; 1, 4-25.

  • V.V. Avidon. The criteria of chemical structuressimilarity and the principles for design of description language for chemical information processing of biologically active compounds. Pharmaceutical Chemistry Journal. 1974; 8, 22-25.

  • D.A. Filimonov, V.V. Poroikov, E.I. Karaicheva, R.K. Kazaryan, A.P. Boudunova, E.M. Mikhailovsky, A.V. Rudnitskih, L.V. Goncharenko, Y.V. Burov. Computer-aided prediction of biological activity spectra of chemical substances on the basis of their structural formulae: computerized system PASS. Experimental and Clinical Pharmacology (Rus). 1995; 8(2), 56-62.

  • D. A. Filimonov, V. V. Poroikov. PASS: Computerized prediction of biological activity spectra for chemical substances. In: Bioactive Compound Design: Possibilities for Industrial Use. Oxford: BIOS Scientific Publishers. 1996; 47-56.

  • O. Trott, A. J. Olson. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. Journal of Computational Chemistry. 2010; 31, 455-61.

  • M. Tan. Alpha-glucosidase inhibitors in the treatment of diabetes. Current Opinion in Endocrinology, Diabetes and Obesity. 1997; 4(1), 48-55.

  • L.K. Campbell, D.E. Baker, R.K. Campbell. Miglitol: assessment of its role in the treatment of patients with diabetes mellitus. Annals of Pharmacotherapy. 2000; 34(11), 1291-1301.

  • T. Matsuo, H. Odaka, H. Ikeda. Effect of an intestinal disaccharidase inhibitor (AO-128) on obesity and diabetes. The American Journal of Clinical Nutrition. 1992; 55(1), 314S-317S.

  • Y. Kohno, Y. Egawa, S. Itoh, S. Nagaoka, M. Takahashi, K. Mukai. Kinetic study of quenching reaction of singlet oxygen and scavenging reaction of free radical by squalene in n-butanol. Biochimica Et Biophysica Acta. 1995; 1256(1), 52-56.

  • J.H. Han, Y.X. Yang, M.Y. Feng. Contents of phytosterols in vegetables and fruits commonly consumed in China. Biomedical and Environmental Sciences. 2008; 21(6), 449-453.

  • S. Panda, M. Jafri, A. Kar, B.K. Meheta. Thyroid inhibitory, antiperoxidative and hypoglycemic effects of stigmasterol isolated from Butea monosperma. Fitoterapia. 2009; 80(2), 123-126.


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  • In silico Analysis of Compounds with Hypoglycaemic Potential

Abstract Views: 561  |  PDF Views: 240

Authors

Jyoti Verma
Department of Biotechnology, G.B Pant Engineering College, Pauri Garhwal, Uttarakhand-246194, India
Chetan Awasthi
Department of Biotechnology, G.B Pant Engineering College, Pauri Garhwal, Uttarakhand-246194, India

Abstract


Objective: To find digestive enzyme inhibitors as the therapeutic approach to deal with the management of diabetes mellitus.

Methods: In this study, we had in silico, analysed the anti-diabetic activity of the commercially available drugs used for diabetes treatment and few compounds which may have a potential to treat the disease. The main studied compounds are miglitol, voglibose, metformin, acetohexamide, squalene, stearic acid, heptacosanol, stigmasterol. The compounds were predicted for their biological properties based on their chemical structures as well as drug like activities. The compounds were docked with the digestive enzyme α- amylase and hydrogen bondings were revealed to study the relative stability of the complexes, which may result in the enzyme inhibition.

Findings: It may be concluded that if we succeed in achieving enzyme inhibition by a compound, then the compound may prevent the breakdown of carbohydrates into glucose in the body, thus maintaining the appropriate blood glucose levels.

Application: Compounds acting as digestive enzyme inhibitors could help in control of diabetes mellitus by delaying the release of post-prandial glucose level in the blood.


Keywords


Diabetes Mellitus, Drugs, PASS.

References