Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations (Q33952001)

30 July 2017

title

Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations (English)

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30 July 2017

Price ML

1

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30 July 2017

Jorgensen WL

series ordinal

2

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30 July 2017

language of work or name

English

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publication date

1 June 2001

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Bioorganic & Medicinal Chemistry Letters

30 July 2017

published in

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30 July 2017

volume

11

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30 July 2017

issue

12

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30 July 2017

page(s)

1541-1544

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The discovery of rofecoxib, [MK 966, Vioxx, 4-(4'-methylsulfonylphenyl)-3-phenyl-2(5H)-furanone], an orally active cyclooxygenase-2-inhibitor

30 July 2017

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Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).

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Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

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The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1

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Conversion of prostaglandin G/H synthase-1 into an enzyme sensitive to PGHS-2-selective inhibitors by a double His513 --> Arg and Ile523 --> val mutation

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7 January 2021

A single amino acid difference between cyclooxygenase-1 (COX-1) and -2 (COX-2) reverses the selectivity of COX-2 specific inhibitors.

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7 January 2021

Comparison of simple potential functions for simulating liquid water

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7 January 2021

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

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Class IV charge models: A new semiempirical approach in quantum chemistry

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MOLMOL: a program for display and analysis of macromolecular structures

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Identifiers

DOI

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30 July 2017

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