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REVIEW: Computer Design of Low-Molecular-Weight Inhibitors of Coagulation Factors

A. S. Kabankin1,a, E. I. Sinauridze1,2, E. N. Lipets1,2, and F. I. Ataullakhanov1,2,3,4,b*

1Center for Theoretical Problems of Physicochemical Pharmacology, Russian Academy of Sciences, 119991 Moscow, Russia

2Dmitry Rogachev National Medical Research Center of Pediatric Hematology, Oncology and Immunology, 117997 Moscow, Russia

3Lomonosov Moscow State University, Faculty of Physics, 119991 Moscow, Russia

4Moscow Institute of Physics and Technology, 141701 Dolgoprudny, Moscow Region, Russia

* To whom correspondence should be addressed.

Received September 5, 2018; Revised October 19, 2018; Accepted October 19, 2018
The review discusses main approaches to searching for new low-molecular-weight inhibitors of coagulation factors IIa, Xa, IXa, and XIa and the results of such studies conducted from 2015 to 2018. For each of these factors, several inhibitors with IC50 < 10 nM have been found, some of which are now tested in clinical trials. However, none of the identified inhibitors meets the requirements for an “ideal” anticoagulant, so further studies are required.
KEY WORDS: anticoagulant, low-molecular-weight inhibitor, coagulation factor, computer molecular design, molecular docking

DOI: 10.1134/S0006297919020032