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The Discovery of New Human Coagulation Factor XIa ( FXIa ) Inhibitors by Synthesis, Biological Evaluation, and Structure‐based Modeling
Author(s) -
Lee Myeong Hwi,
Song Ho Young,
Kim Hyoungrae,
Park Kyung Eun,
Kim Jinyeong,
Park Tae Kyo,
Kim Yong Ju,
Kang Nam Sook
Publication year - 2016
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.10831
Subject(s) - coagulation , chemistry , molecular model , mechanism (biology) , computational biology , combinatorial chemistry , stereochemistry , biology , medicine , physics , quantum mechanics , psychiatry
Factor XIa ( FXIa ) is an enzyme that is activated during the earliest stage of initiation of the intrinsic pathway of the blood coagulation mechanism. In this study, we attempted to discover a new FXIa inhibitor based on structure‐based molecular modeling. We found that compound 16 exhibits satisfactory predicted properties while maintaining important binding interactions with FX1a .