Email this article Modern methods for the development of new drugs that affect the hemostatic system
- Authors: Sulimov A.V.1,2, Kutov D.C.1,2, Tashchilova A.S.1,2, Ilin I.S.1,2, Podoplelova N.A.3,4, Panteleev M.A.3,4,5,6, Ledeneva I.V.7, Shikhaliev K.S.7, Sulimov V.B.3,4
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Affiliations:
- Research Computing Center, Lomonosov Moscow State University
- Dimonta, Ltd
- Dmitriy Rogachev National Medical Research Center of Pediatric Hematology, Oncology, Immunology Ministry of Healthcare of Russian Federation
- Center for Theoretical Problems of Physicochemical Pharmakology
- Lomonosov Moscow State University
- Moscow Institute of Physics and Technology (State University
- Voronezh State University
- Issue: Vol 18, No 4 (2019)
- Pages: 136-152
- Section: LITERATURE REVIEW
- Submitted: 31.12.2019
- Accepted: 31.12.2019
- Published: 31.12.2019
- URL: https://hemoncim.com/jour/article/view/296
- DOI: https://doi.org/10.24287/1726-1708-2019-18-4-136-152
- ID: 296
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Abstract
The blood coagulation system plays an important role in health and disease. It is a complex network of proteolytic reactions that is activated during injuries and controls the formation of a fibrin clot. Although new components and reactions have not been discovered for thirty years, during this time there has been a revolution in understanding of how this system works and what enzymes are the optimal targets for the therapy. At the same time, new methods of drug development, first of all, computer docking, which are ideally suited for the discovery of inhibitors of blood clotting enzymes, have appeared. In this review, an attempt has been made to correlate the lines of development of new ideas about the mechanisms of coagulation, new methods of searching for drugs and their combination, thanks to which now there are more and more potentially interesting molecules that can change the face of the anticoagulant therapy in the near future. In the review, molecular modeling methods, primarily docking, which are increasingly used at the initial stage of developing new drugs, the role of docking at the initial stage of developing new inhibitors are briefly considered and the structure of the active centers of factors Xa and XIa, which determines their interaction with inhibitors, are discussed in detail.
About the authors
A. V. Sulimov
Research Computing Center, Lomonosov Moscow State University;Dimonta, Ltd
Author for correspondence.
ORCID iD: 0000-0002-8767-642X
Moscow Russian Federation
D. C. Kutov
Research Computing Center, Lomonosov Moscow State University;Dimonta, Ltd
Moscow Russian Federation
A. S. Tashchilova
Research Computing Center, Lomonosov Moscow State University;Dimonta, Ltd
ORCID iD: 0000-0001-8701-5472
Moscow Russian Federation
I. S. Ilin
Research Computing Center, Lomonosov Moscow State University;Dimonta, Ltd
ORCID iD: 0000-0002-3599-8718
Moscow Russian Federation
N. A. Podoplelova
Dmitriy Rogachev National Medical Research Center of Pediatric Hematology, Oncology, Immunology Ministry of Healthcare of Russian Federation;Center for Theoretical Problems of Physicochemical Pharmakology
ORCID iD: 0000-0002-3612-393X
Moscow Russian Federation
M. A. Panteleev
Dmitriy Rogachev National Medical Research Center of Pediatric Hematology, Oncology, Immunology Ministry of Healthcare of Russian Federation;Center for Theoretical Problems of Physicochemical Pharmakology;
Lomonosov Moscow State University;
Moscow Institute of Physics and Technology (State University
Email: mapanteleev@yandex.ru
ORCID iD: 0000-0002-8128-7757
Correspondence: Mikhail А. Panteleev, PhD, DSc, Head of the Laboratory of cellular hemostasis and trombosis of Dmitriy Rogachev National Medical Research Center of Pediatric Hematology, Oncology, Immunology Ministry of Healthcare of Russian Federation.
Address: Russia, 117997, Moscow, Samory Machela st., 1 Russian FederationI. V. Ledeneva
Voronezh State University
ORCID iD: 0000-0002-4277-5838
Voronezh Russian Federation
Kh. S. Shikhaliev
Voronezh State University
ORCID iD: 0000-0002-6576-0305
Voronezh Russian Federation
V. B. Sulimov
Dmitriy Rogachev National Medical Research Center of Pediatric Hematology, Oncology, Immunology Ministry of Healthcare of Russian Federation;Center for Theoretical Problems of Physicochemical Pharmakology
ORCID iD: 0000-0002-7102-6107
Moscow Russian Federation
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