The Discovery of New Human Coagulation Factor  XIa  ( FXIa ) Inhibitors by Synthesis, Biological Evaluation, and Structure‐based Modeling | Zendy

Lee Myeong Hwi | Zendy; Song Ho Young | Zendy; Kim Hyoungrae | Zendy; Park Kyung Eun | Zendy; Kim Jinyeong | Zendy; Park Tae Kyo | Zendy; Kim Yong Ju | Zendy; Kang Nam Sook | Zendy

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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 .

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