Journal
RUSSIAN CHEMICAL BULLETIN
Volume 65, Issue 6, Pages 1592-1607Publisher
SPRINGER
DOI: 10.1007/s11172-016-1487-8
Keywords
molecular polymorphism of enzymes; personalized medicine; individual sensitivity to drugs; acetylcholinesterase; butyrylcholinesterase; carboxylesterase; high performance computing; molecular modeling; molecular dynamics
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Funding
- Russian Science Foundation [14-13-00124]
- Russian Science Foundation [14-13-00124] Funding Source: Russian Science Foundation
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The nature of individual sensitivity to drugs associated with molecular polymorphism of human enzymes is discussed. The influence of molecular polymorphism on the activity of key human esterases, in particular, cholinesterases and carboxylesterase, responsible for hydrolytic metabolism of ester-containing drugs, is analyzed. A method was developed, which involves supercomputer-assisted modeling as a tool for assessment of molecular mechanism of the impact of point mutations on the catalytic activity of enzymes. This work is a part of a study aimed at elaboration of the concept and methods of personalized medicine.
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