In consequence of the key role of factor Xa in the clotting cascade and absence of its activity in the processes that do not affect\ncoagulation, this protein is an attractive target for development of new blood coagulation inhibitors. Factor Xa is more effective\nand convenient target for creation of anticoagulants than thrombin, inhibition of which may cause some side effects. This study is\naimed at finding new inhibitors of factor Xa by molecular computer modeling including docking SOL and post docking optimization\nDISCORE programs. After validation of molecular modeling methods on well-known factor Xa inhibitors the virtual screening of\nNCID iversity and Voronezh State University databases of ready-made low molecular weight species has been carried out. Seventeen\ncompounds selected on the basis of modeling results have been tested experimentally in vitro. It has been found that 12 of them\nshowed activity against factor Xa (IC50 = 1.8ââ?¬â??40 Ã?µM). Based on analysis of the results, the new original compound was synthesized\nand experimentally verified. It shows activity against factor Xa with IC50 value of 0.7 Ã?µM.
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