Molecular aspects of drug development: using methods of computer modeling to create new anti-ischemic agents
Abstract
The spectra of biological activity of several derivatives of malonic acid were analyzed using computer modeling techniques with the aim to identify potentially active compounds against ischemic myocardial injury. The nature of interaction between the most promising compound based on the obtained results (4-[(3-ethoxy-3-oxopropanoyl) amino] benzoic acid) and A3 adenosine receptor was evaluated using molecular docking. Thus this compound can be regarded as a perspective anti-ischemic agent.
About the Authors
E. L. Avenirova
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
P. A. Alekseeva
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
N. I. Baranova
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
M. S. Bass
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
A. V. Buryakina
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
N. N. Pitukhina
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
E. V. Fedorova
ГБОУ ВПО Санкт-Петербургская химико-фармацевтическая академия, Санкт-Петербург
Russian Federation
Russian Federation
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Review
For citations:
Avenirova E.L., Alekseeva P.A., Baranova N.I., Bass M.S., Buryakina A.V., Pitukhina N.N., Fedorova E.V. Molecular aspects of drug development: using methods of computer modeling to create new anti-ischemic agents. Journal Biomed. 2014;1(1):4-10. (In Russ.)
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