Optimization and Validation of a Docking-Scoring Protocol; Application to Virtual Screening for COX-2 Inhibitors-Reference-Cited by-同舟云学术

Optimization and Validation of a Docking-Scoring Protocol; Application to Virtual Screening for COX-2 Inhibitors

Published:2005-02-01 Issue:4 Volume:48 Page:1055-1068
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Mozziconacci Jean-Christophe¹,Arnoult Eric¹,Bernard Philippe¹,Do Quoc Tuan¹,Marot Christophe¹,Morin-Allory Luc¹

Affiliation:

1. Institut de Chimie Organique et Analytique, UMR CNRS 6005, Université d'Orléans, BP 6759, F-45067 Orléans Cedex 2, France, and GreenPharma S.A., allée du Titane 45100 Orléans, France

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm049332v

Reference47 articles.

1. Metabolism of Sirolimus and Its Derivative Everolimus by Cytochrome P450 3A4: Insights from Docking, Molecular Dynamics, and Quantum Chemical Calculations

2. Walters, W. P.; Stahl, M. T.; Murcko, M. A. Virtual screeningAn overview.Drug Discovery Today1998,3, 160−178. (b) Stahl, M. 11Structure-based library design. InVirtual screening for bioactivemolecules; Böhm, H.J., Schneider, G., Eds.; Wiley-VCH: Weinheim, 2000, pp 229−264. (c) Schneider, G.; Böhm, H.J. Virtual screening and fast automated docking methods.Drug Discovery Today2002,7, 64−70.

Cited by 37 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Assessing the Performance of GOLD, Glide and MM-GBSA on a Dataset of Hydrazide-hydrazone-based Tuberculostatics;Letters in Drug Design & Discovery;2023-10

2. Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach;Pharmaceuticals;2020-08-26

3. Prediction of the Antiinflammatory Activity of New S-alkyl Derivatives of 1,2,4-triazol-3-thiones Using the PASS Computer Program and Molecular Docking;Borneo Journal of Pharmacy;2020-02-27

4. Design, synthesis and biological evaluation of novel ferrocene-pyrazole derivatives containing nitric oxide donors as COX-2 inhibitors for cancer therapy;European Journal of Medicinal Chemistry;2018-09

5. Novel diphenylthiazole derivatives with multi-target mechanism: Synthesis, docking study, anticancer and anti-inflammatory activities;Bioorganic Chemistry;2017-12