Structural Probing, Screening and Structure-Based Drug Repositioning Insights into the Identification of Potential Cox-2 Inhibitors from Selective Coxibs

The rate-limiting enzyme cyclooxygenase-2 (COX-2) is considered as an insightful prognostic target for non-small cell lung cancer (NSCLC) therapy. Now, administration and prolonged utilization of selective COX-2 inhibitors (COXIBs) towards moderating the NSCLC has been associated with different side...

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Veröffentlicht in:	Interdisciplinary sciences : computational life sciences 2019-06, Vol.11 (2), p.153-169
Hauptverfasser:	Bommu, Uma Devi, Konidala, Kranthi Kumar, Pamanji, Rishika, Yeguvapalli, Suneetha
Format:	Artikel
Sprache:	eng
Schlagworte:	Binders Biomedical and Life Sciences Computational Biology/Bioinformatics Computational Science and Engineering Computer Appl. in Life Sciences Computer simulation Coordination compounds COX-2 inhibitors Cyclooxygenase 2 - chemistry Cyclooxygenase 2 Inhibitors - chemistry Cyclooxygenase 2 Inhibitors - pharmacology Cyclooxygenase-2 Docking Drug discovery Drug Evaluation, Preclinical Drug Repositioning Female Health Sciences Humans Hydrogen Bonding Inhibitors Life Sciences Ligands Lung cancer Male Mathematical and Computational Physics Medicine Molecular Docking Simulation Molecular Dynamics Simulation Non-small cell lung carcinoma Original Research Article Pharmacokinetics Pharmacology Protein Structure, Secondary Scaffolds Side effects Statistics for Life Sciences Structure-Activity Relationship Theoretical Theoretical and Computational Chemistry Therapy X-ray diffraction
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