Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 32718
Mathematical modeling of Bi-Substrate Enzymatic Reactions with Ping-Pong Mechanism in the Presence of Competitive Inhibitors

Authors: Rafayel A. Azizyan, Aram E. Gevogyan, Valeri B. Arakelyan, Emil S. Gevorgyan


The mathematical modeling of different biological processes is usually used to predict or assess behavior of systems in which these processes take place. This study deals with mathematical and computer modeling of bi-substrate enzymatic reactions with ping-pong mechanism, which play an important role in different biochemical pathways. Besides that, three models of competitive inhibition were designed using different software packages. The main objective of this study is to represent the results from in silico investigation of bi-substrate enzymatic reactions with ordered pingpong mechanism in the presence of competitive inhibitors, as well as to describe in details the inhibition effects. The simulation of the models with certain kinetic parameters allowed investigating the behavior of reactions as well as determined some interesting aspects concerning influence of different cases of competitive inhibition. Simultaneous presence of two inhibitors, competitive to the S1 and S2 substrates have been studied. Moreover, we have found the pattern of simultaneous influence of both inhibitors.

Keywords: Mathematical modeling, bi-substrate enzymatic reactions, ping-pong mechanism, competitive inhibition.

Digital Object Identifier (DOI):

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3506


[1] H. Yuan, G. Fu, Ph. Brooks, I. Weber, G. Gadda, Steady-State Kinetic Mechanism and Reductive Half-Reaction of D-Arginine Dehydrogenase from Pseudomonas aeruginosa. Biochemistry, 2010; 49: 9542-9550.
[2] C. Yao, C. Lai, H. Hsieh, C. Chi, Sh. Yin. Establishment of steady-state metabolism of ethanol in perfused rat liver: the quantitative analysis using kinetic mechanism-based rate equations of alcohol dehydrogenase. Alcohol 2010; 44: 541-551.
[3] J. Yon-Kahn, G. Herve. Molecular and Cellular Enzymology. Vol. 1, Springer, 2010.
[4] H. Bisswanger. Enzyme kinetics. Principles and Methods. 2nd ed. WILEY-VCH, 2008.
[5] W. W. Cleland. Biochim. Biophys. Acta 1963; 67: 104-137.
[6] T. Keleti. Basic Enzyme Kinetics. Moscow, «Mir», 1990.
[7] S. D. Varfolomeev, K. G. Gurevich. Biokinetics. Moscow: «FAIRPRESS », 1999.
[8] "Mathematica 7" Home page available at URL:
[9] "STELLA Home Page" available at URL:
[10] R. A. Azizyan, A. E. Gevorgyan, V. B. Arakelyan, E. S. Gevorgyan. Computational Modeling of Kinetics of the Bisubstrate Enzymatic Reaction With Ping-pong Mechanism. Biological Journal of Armenia, 2 (64), pp. 85-93
[11] C. E. Bugg, W. M. Carson and J. A. Montgomery. Drugs by design. Sci. Am. 1993; 269(6): 92-98.
[12] L. A. Moran, H. R. Horton, K. G. Scrimgeour, M. D. Perry. Principles of Biochemistry. 5th ed. Pearson, 2012.