Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa

Sochanchingwung Rumthao; Oukseub Lee; Qi Sheng; Wentao Fu; Debbie C. Mulhearn; David Crich; Andrew D. Mesecar; Michael E. Johnson

doi:10.1016/j.bmcl.2004.07.054

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa

Sochanchingwung Rumthao, Oukseub Lee, Qi Sheng, Wentao Fu, Debbie C. Mulhearn, David Crich, Andrew D. Mesecar, Michael E. Johnson

Surgery, Breast Surgery Division

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

Placement of an anionic group within the oxyanion hole region of the Factor Xa catalytic site substantially enhances activity, with small flexible groups favored over bulkier ones.

Original language	English (US)
Pages (from-to)	5165-5170
Number of pages	6
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	14
Issue number	20
DOIs	https://doi.org/10.1016/j.bmcl.2004.07.054
State	Published - Oct 18 2004

Keywords

Factor Xa
Oxyanion hole
S1 specificity pocket
Serine protease inhibitor
p-Hydroxybenzamidine

ASJC Scopus subject areas

Drug Discovery
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Organic Chemistry

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10.1016/j.bmcl.2004.07.054

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title = "Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa",

abstract = "Placement of an anionic group within the oxyanion hole region of the Factor Xa catalytic site substantially enhances activity, with small flexible groups favored over bulkier ones.",

keywords = "Factor Xa, Oxyanion hole, S1 specificity pocket, Serine protease inhibitor, p-Hydroxybenzamidine",

author = "Sochanchingwung Rumthao and Oukseub Lee and Qi Sheng and Wentao Fu and Mulhearn, {Debbie C.} and David Crich and Mesecar, {Andrew D.} and Johnson, {Michael E.}",

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AU - Rumthao, Sochanchingwung

AU - Lee, Oukseub

AU - Sheng, Qi

AU - Fu, Wentao

AU - Mulhearn, Debbie C.

AU - Crich, David

AU - Mesecar, Andrew D.

AU - Johnson, Michael E.

PY - 2004/10/18

Y1 - 2004/10/18

N2 - Placement of an anionic group within the oxyanion hole region of the Factor Xa catalytic site substantially enhances activity, with small flexible groups favored over bulkier ones.

AB - Placement of an anionic group within the oxyanion hole region of the Factor Xa catalytic site substantially enhances activity, with small flexible groups favored over bulkier ones.

KW - Factor Xa

KW - Oxyanion hole

KW - S1 specificity pocket

KW - Serine protease inhibitor

KW - p-Hydroxybenzamidine

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JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

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ER -

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa

Abstract

Keywords

ASJC Scopus subject areas

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