Biochemistry (Moscow)

, Volume 84, Issue 2, pp 119–136 | Cite as

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

  • A. S. Kabankin
  • E. I. Sinauridze
  • E. N. Lipets
  • F. I. AtaullakhanovEmail author


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.


anticoagulant low-molecular-weight inhibitor coagulation factor computer molecular design molecular docking 



absorption, distribution, metabolism, excretion


absorption, distribution, metabolism, excretion, toxicity


antithrombin III


comparative molecular field analysis


com-parative molecular similarity indices analysis


direct oral anticoagulants


direct thrombin inhibitors


ligand-based drug design


prediction of activity spectra for substances


quantitative structure-activity relation-ships


structure-based drug design


tissue factor


tissue factor pathway inhibitor


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Copyright information

© Pleiades Publishing, Ltd. 2019

Authors and Affiliations

  • A. S. Kabankin
    • 1
  • E. I. Sinauridze
    • 1
    • 2
  • E. N. Lipets
    • 1
    • 2
  • F. I. Ataullakhanov
    • 1
    • 2
    • 3
    • 4
    Email author
  1. 1.Center for Theoretical Problems of Physicochemical PharmacologyRussian Academy of SciencesMoscowRussia
  2. 2.Dmitry Rogachev National Medical Research Center of Pediatric HematologyOncology and ImmunologyMoscowRussia
  3. 3.Lomonosov Moscow State UniversityFaculty of PhysicsMoscowRussia
  4. 4.Moscow Institute of Physics and TechnologyDolgoprudny, Moscow RegionRussia

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