Abstract
Achievements in genomics and proteomics, as well as the exponential growth of computing power, ensure qualitatively new opportunities in understanding the molecular nature of “living matter” and, as a consequence, the extension of the capabilities of medicine. This paper considers two scientific fields in which high-throughput computing is especially effective. The first is computer-aided design of drugs, and the second is analysis of human molecular polymorphism and individual sensitivity to drugs. General provisions are illustrated with specific examples, including the development of a new class of antimyasthenic drugs—cholinesterase inhibitors, research in the molecular polymorphism of brain aspartoacylase, the clarification of the nature of Canavan disease, and the study of individual sensitivity to drugs—cholinesterase inhibitors.
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Original Russian Text © S.D. Varfolomeev, S.V. Lushchekina, A.V. Nemukhin, 2016, published in Vestnik Rossiiskoi Akademii Nauk, 2016, Vol. 86, No. 6, pp. 524–532.
RAS Corresponding Member Sergei Dmitrievich Varfolomeev is research supervisor of the Emanuel Institute of Biochemical Physics, RAS, and head of the Department of Chemical Enzymology at the Chemistry Faculty of Moscow State University. Sofya Vladimirovna Lushchekina, Cand. Sci. (Chem.), is a senior research fellow at the Emanuel Institute of Biochemical Physics, RAS. Aleksandr Vladimirovich Nemukhin, Dr. Sci. (Chem.), is head of a laboratory at the Emanuel Institute of Biochemical Physics, RAS, and head of a laboratory at the Chemistry Faculty of Moscow State University.
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Varfolomeev, S.D., Lushchekina, S.V. & Nemukhin, A.V. Computer simulation in molecular medicine and drug design. Her. Russ. Acad. Sci. 86, 185–192 (2016). https://doi.org/10.1134/S101933161603014X
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DOI: https://doi.org/10.1134/S101933161603014X