Abstract
At present, computer-assisted molecular modeling and virtual screening have become effective and widelyused tools for drug design. However, a prerequisite for design and synthesis of a therapeutic agent is determination of a correct target in the metabolic system, which should be either inhibited or stimulated. Solution of this extremely complicated problem can also be assisted by computational methods. This review discusses the use of mathematical models of blood coagulation and platelet-mediated primary hemostasis and thrombosis as cost-effective and time-saving tools in research, clinical practice, and development of new therapeutic agents and biomaterials. We focus on four aspects of their application: 1) efficient diagnostics, i.e. theoretical interpretation of diagnostic data, including sensitivity of various clotting assays to the changes in the coagulation system; 2) elucidation of mechanisms of coagulation disorders (e.g. hemophilias and thrombophilias); 3) exploration of mechanisms of action of therapeutic agents (e.g. recombinant activated factor VII) and planning rational therapeutic strategy; 4) development of biomaterials with non-thrombogenic properties in the design of artificial organs and implantable devices. Accumulation of experimental knowledge about the blood coagulation system and about platelets, combined with impressive increase of computational power, promises rapid development of this field.
Keywords: blood coagulation, platelets, mathematical modeling, computer simulation, drug design, biomaterials
Current Pharmaceutical Design
Title: Mathematical Models of Blood Coagulation and Platelet Adhesion: Clinical Applications
Volume: 13 Issue: 14
Author(s): M. A. Panteleev, N. M. Ananyeva, F. I. Ataullakhanov and E. L. Saenko
Affiliation:
Keywords: blood coagulation, platelets, mathematical modeling, computer simulation, drug design, biomaterials
Abstract: At present, computer-assisted molecular modeling and virtual screening have become effective and widelyused tools for drug design. However, a prerequisite for design and synthesis of a therapeutic agent is determination of a correct target in the metabolic system, which should be either inhibited or stimulated. Solution of this extremely complicated problem can also be assisted by computational methods. This review discusses the use of mathematical models of blood coagulation and platelet-mediated primary hemostasis and thrombosis as cost-effective and time-saving tools in research, clinical practice, and development of new therapeutic agents and biomaterials. We focus on four aspects of their application: 1) efficient diagnostics, i.e. theoretical interpretation of diagnostic data, including sensitivity of various clotting assays to the changes in the coagulation system; 2) elucidation of mechanisms of coagulation disorders (e.g. hemophilias and thrombophilias); 3) exploration of mechanisms of action of therapeutic agents (e.g. recombinant activated factor VII) and planning rational therapeutic strategy; 4) development of biomaterials with non-thrombogenic properties in the design of artificial organs and implantable devices. Accumulation of experimental knowledge about the blood coagulation system and about platelets, combined with impressive increase of computational power, promises rapid development of this field.
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Cite this article as:
Panteleev A. M., Ananyeva M. N., Ataullakhanov I. F. and Saenko L. E., Mathematical Models of Blood Coagulation and Platelet Adhesion: Clinical Applications, Current Pharmaceutical Design 2007; 13 (14) . https://dx.doi.org/10.2174/138161207780765936
DOI https://dx.doi.org/10.2174/138161207780765936 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
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