Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics-Reference-Cited by-同舟云学术

Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics

Published:2020-03-11 Issue:5 Volume:39 Page:1717-1734
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Heidarpoor Saremi Leily¹^ORCID,Ebrahimi Ali¹,Lagzian Milad²^ORCID

Affiliation:

1. Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, Zahedan, Iran

2. Department of Biology, Faculty of Sciences, University of Sistan and Baluchestan, Zahedan, Iran

Funder

University of Sistan and Baluchestan

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1737574

Reference65 articles.

1. Conformational Studies of Glucose Transporter 1 (GLUT1) as an Anticancer Drug Target

2. NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer’s disease: an investigation by docking, molecular dynamics, and DFT studies

3. Cyclooxygenase-2 Inhibitors. 1,5-Diarylpyrrol-3-acetic Esters with Enhanced Inhibitory Activity toward Cyclooxygenase-2 and Improved Cyclooxygenase-2/Cyclooxygenase-1 Selectivity

4. Nonsteroidal Anti-Inflammatory Drugs and Heart Failure

5. Structural and Functional Basis of Cyclooxygenase Inhibition

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