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Investigation of the tight binding mechanism of a new anticoagulant DD217 to factor Xa by means of molecular docking and molecular dynamics.

Autor: Shulga DA; Department of Chemistry, Moscow State University, Moscow, Russia., Tserkovnikova NA; Department of Kinetics and Catalysis, Institute of Chemical Physics of Russian, Academy of Sciences, Moscow, Russia., Tarasov DN; Department of Kinetics and Catalysis, Institute of Chemical Physics of Russian, Academy of Sciences, Moscow, Russia.; PharmaDiall LLC, Moscow, Russia., Tovbin DG; Department of Kinetics and Catalysis, Institute of Chemical Physics of Russian, Academy of Sciences, Moscow, Russia.; PharmaDiall LLC, Moscow, Russia.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Jul; Vol. 41 (10), pp. 4723-4734. Date of Electronic Publication: 2022 May 09.

The Development of New Factor Xa Inhibitors Based on Amide Synthesis.

Autor: Tarasov DN; Department of Kinetics and Catalysis of N. Semenov' Institute of Chemical Physics of Russian Academy of Sciences, Moscow, Russian Federation.; PharmaDiall, LLC., Moscow, Russian Federation., Tovbin DG; Department of Kinetics and Catalysis of N. Semenov' Institute of Chemical Physics of Russian Academy of Sciences, Moscow, Russian Federation.; PharmaDiall, LLC., Moscow, Russian Federation., Malakhov DV; PharmaDiall, LLC., Moscow, Russian Federation., Aybush AV; Department of Kinetics and Catalysis of N. Semenov' Institute of Chemical Physics of Russian Academy of Sciences, Moscow, Russian Federation.; PharmaDiall, LLC., Moscow, Russian Federation., Tserkovnikova NA; Department of Kinetics and Catalysis of N. Semenov' Institute of Chemical Physics of Russian Academy of Sciences, Moscow, Russian Federation.; PharmaDiall, LLC., Moscow, Russian Federation., Savelyeva MI; Department of Internal Medicine and Clinical Pharmacology of Russian Medical Academy of Continuous Professional Education, Moscow, Russian Federation., Sychev DA; Department of Internal Medicine and Clinical Pharmacology of Russian Medical Academy of Continuous Professional Education, Moscow, Russian Federation., Drozd NN; Laboratory of Pathology and Pharmacology of a Hemostasis of National Research Center for Hematology, Moscow, Russian Federation., Savchenko AY; Federal State Institution of Science «Scientific Center of Biomedical Technology of the Federal Medical-Biological Agency of Russia », Svetlye Gory Village, Krasnogorsk District, Moscow region, Russian Federation.

Publikováno v: Current drug discovery technologies [Curr Drug Discov Technol] 2018; Vol. 15 (4), pp. 335-350.