Literature DB >> 10522690

Structural basis of the dynamic mechanism of ligand binding to cyclooxygenase.

O Llorens1, J J Perez, A Palomer, D Mauleon.   

Abstract

Molecular modeling studies performed on the two cyclooxygenase (COX) isozymes suggest that the cavity at the mouth of the active site on the membrane domain that may act as an actual binding site of COX ligands. Actual docking of different inhibitors at this site provides a structural basis to explain the dynamics of COX inhibition.

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Year:  1999        PMID: 10522690     DOI: 10.1016/s0960-894x(99)00481-3

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  5 in total

1.  Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using catalyst.

Authors:  Madhu Chopra; Ruby Gupta; Swati Gupta; Daman Saluja
Journal:  J Mol Model       Date:  2008-07-30       Impact factor: 1.810

2.  Synthesis and evaluation of transthyretin amyloidosis inhibitors containing carborane pharmacophores.

Authors:  Richard L Julius; Omar K Farha; Janet Chiang; L Jeanne Perry; M Frederick Hawthorne
Journal:  Proc Natl Acad Sci U S A       Date:  2007-03-13       Impact factor: 11.205

3.  Synthesis and Evaluation of New Coumarin Derivatives as Antioxidant, Antimicrobial, and Anti-Inflammatory Agents.

Authors:  Hanan M Alshibl; Ebtehal S Al-Abdullah; Mogedda E Haiba; Hamad M Alkahtani; Ghada E A Awad; Ahlam H Mahmoud; Bassant M M Ibrahim; Ahmed Bari; Alexander Villinger
Journal:  Molecules       Date:  2020-07-16       Impact factor: 4.411

4.  Tryptanthrin from microwave-assisted reduction of isatin using solid-state-supported sodium borohydride: DFT calculations, molecular docking and evaluation of its analgesic and anti-inflammatory activity.

Authors:  Craig A Obafemi; Oluwaseun B Adegbite; Olatomide A Fadare; Ezekiel O Iwalewa; Nusrat O Omisore; Kayode Sanusi; Yusuf Yilmaz; Ümit Ceylan
Journal:  Heliyon       Date:  2020-12-31

5.  Molecular docking analysis of known flavonoids as duel COX-2 inhibitors in the context of cancer.

Authors:  Raju Dash; Mir Muhammad Nasir Uddin; S M Zahid Hosen; Zahed Bin Rahim; Abu Mansur Dinar; Mohammad Shah Hafez Kabir; Ramiz Ahmed Sultan; Ashekul Islam; Md Kamrul Hossain
Journal:  Bioinformation       Date:  2015-12-31
  5 in total

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