350 rub
Journal №10 for 2014 г.
Article in number:
Рolyfunctionality pyruvate
Keywords: small molecules pyruvate molecular modeling biological activity
Authors:
E.A. Ryskina - Ph.D. (Biol.), Associate Professor, Department of Biochemistry named after T.T. Berezov, Peoples - Friendship University of Russia (Moscow). E-mail: dar31@mail.ru
Abstract:
A significant contribution to modern biochemistry research data made within the project of human metabolome. Human metabolome database (HMDB) has information on more than 40 thousand different metabolites, comprehensively describing the compound, its synonyms, structure and physico-chemical data. With the development of computer technology has become possible to modulate the structure, properties and biological activity of the metabolites. Each compound is able to exhibit biological activity, ie interact with biological objects. This property of a substance depends on the structure of the molecule. Most of the methods of molecular modeling related to the analysis of communication «structure - activity» (Structure-Activity Relationship - SAR). These methods are used to study the interaction of «ligand - receptor» (one molecule - target) and analysis of quantitative relationships «structure - activity». The object of our study was small molecule - pyruvate, which is part of the human metabolome. Assessment of the biological activity of pyruvic acid was performed using a computer program Prediction of Activity Spectra for Substances (PASS) ? forecast range of biologically active organic compounds, based on the analysis of the relationships «structure - activity». Forecast spectra of biological activity of pyruvate shows the probability of the presence of 257 pharmacological effects of 384 probable and mechanisms for their implementation in 1578 of 2242. Found 35 of 41 possible side effects and toxic effects, 56 metabolically mediated action. The spectrum of the many effects of pyruvate is determined by the ability of the small molecule to stimulate erythropoiesis and leykopoez, act regulator of lipid metabolism, provide antihypoxia, anti-toxic, gemoprotektornoe and cytoprotective effect. These results show that the pyruvic acid has various mechanisms to affect the activity factors regulating cell interactions within and between cells. We can assume that pyruvic acid acts as an intermediary, the regulatory function of macromolecules, implementing a variety of physiological effects.
Pages: 42-46
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