Cyclooxygenase 2 Inhibitors - AI Medical Compendium

Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints.

Molecular diversity Jan 10, 2024

Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that treat inflammation, pain and fever. This study determined the interaction mechanisms of COX-2 inhibitors and the molecular properties needed to design new drug candidat...

Cyclooxygenase 2 Hydrophobic and Hydrophilic Interactions Cyclooxygenase 2 Inhibitors Molecular Docking Simulation Computational Biology Molecular Dynamics Simulation Ligands Phenols Artificial Intelligence Machine Learning

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Perioperative Outcomes of Patients Who Were Not Candidates for Additional Nonsteroidal Anti-inflammatory Drugs in a Multimodal Pain Control Regimen for Total Knee Arthroplasty.

Clinics in orthopedic surgery Dec 21, 2020

BACKGROUD: Postoperative pain following total knee arthroplasty (TKA) may hamper patients from a rapid recovery and increase perioperative blood loss and stress on the cardiovascular system. Therefore, our objective was to assess perioperative outcom...

Analgesia, Patient-Controlled Analgesics, Opioid Male Female Arthroplasty, Replacement, Knee Morphine Cyclooxygenase 2 Inhibitors Aged Pain Management Celecoxib Isoxazoles Humans Pain Measurement Middle Aged Retrospective Studies Anti-Inflammatory Agents, Non-Steroidal Pain, Postoperative

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Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods.

Journal of chemical information and modeling Feb 26, 2019

This work reports the classification study conducted on the biggest COX-2 inhibitor data set so far. Using 2925 diverse COX-2 inhibitors collected from 168 pieces of literature, we applied machine learning methods, support vector machine (SVM) and ra...

Databases, Pharmaceutical Support Vector Machine Cyclooxygenase 2 Inhibitors

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Specialized oxygenated heterocyclics from Villorita cyprinoides with cyclooxygenase-2 and 5-lipoxygenase inhibitory properties.

Food research international (Ottawa, Ont.) Dec 28, 2017

Villorita cyprinoides is traditional seafood in the coastal regions of Arabian Sea. Bioactivity-guided purification of ethyl acetate:methanol extract of V. cyprinoides resulted in the identification of two O-spirocyclic ether derivatives (1-2) along ...

Humans Oxygen Animals Biological Products Bivalvia Cyclooxygenase 2 Inhibitors Lipoxygenase Inhibitors Structure-Activity Relationship Molecular Docking Simulation Arachidonate 5-Lipoxygenase Cyclooxygenase 2 Molecular Structure Seafood Antioxidants Lipoxygenase

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The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactions.

Journal of molecular graphics & modelling Jun 19, 2015

Structural and electronic factors influencing selective inhibition of cyclooxygenase-2 and 5-lipoxygenase (COX-2/5-LOX) were studied by using Electronic-Topological Method combined with Neural Networks (ETM-NN), molecular docking, and Density Functio...

Ligands Cyclooxygenase 2 Inhibitors Datasets as Topic Molecular Structure Quantum Theory Cyclooxygenase 2 Lipoxygenase Inhibitors Substrate Specificity Catalytic Domain Arachidonate 5-Lipoxygenase Neural Networks, Computer Algorithms Protein Binding Structure-Activity Relationship Molecular Docking Simulation Humans

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COX-2 Inhibitor Prediction With KNIME: A Codeless Automated Machine Learning-Based Virtual Screening Workflow.

Journal of computational chemistry Jan 15, 2025

Cyclooxygenase-2 (COX-2) is an enzyme that plays a crucial role in inflammation by converting arachidonic acid into prostaglandins. The overexpression of enzyme is associated with conditions such as cancer, arthritis, and Alzheimer's disease (AD), wh...

Humans Machine Learning Drug Evaluation, Preclinical Cyclooxygenase 2 Inhibitors Cyclooxygenase 2 Molecular Structure Workflow

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Development and validation of a LC-FL method for the simultaneous determination of doxorubicin and celecoxib in nanoparticulate fixed dose combination (NanoFDC).

Die Pharmazie Oct 1, 2017

An isocratic reversed phase HPLC method for the simultaneous determination of doxorubicine (DOX) and celecoxib (CXB) out of a nanoparticulate fixed dose combination (NanoFDC) was developed and validated. Linearity of the results was demonstrated from...

Antibiotics, Antineoplastic Celecoxib Cyclooxygenase 2 Inhibitors Antineoplastic Combined Chemotherapy Protocols Drug Combinations Chromatography, High Pressure Liquid Reproducibility of Results Limit of Detection Doxorubicin Nanoparticles

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AIMC Topic: Cyclooxygenase 2 Inhibitors

Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints.

Perioperative Outcomes of Patients Who Were Not Candidates for Additional Nonsteroidal Anti-inflammatory Drugs in a Multimodal Pain Control Regimen for Total Knee Arthroplasty.

Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods.

Specialized oxygenated heterocyclics from Villorita cyprinoides with cyclooxygenase-2 and 5-lipoxygenase inhibitory properties.

The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactions.

COX-2 Inhibitor Prediction With KNIME: A Codeless Automated Machine Learning-Based Virtual Screening Workflow.

Development and validation of a LC-FL method for the simultaneous determination of doxorubicin and celecoxib in nanoparticulate fixed dose combination (NanoFDC).

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AIMC Topic: Cyclooxygenase 2 Inhibitors

Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints.

Perioperative Outcomes of Patients Who Were Not Candidates for Additional Nonsteroidal Anti-inflammatory Drugs in a Multimodal Pain Control Regimen for Total Knee Arthroplasty.

Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods.

Specialized oxygenated heterocyclics from Villorita cyprinoides with cyclooxygenase-2 and 5-lipoxygenase inhibitory properties.

The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactions.

COX-2 Inhibitor Prediction With KNIME: A Codeless Automated Machine Learning-Based Virtual Screening Workflow.

Development and validation of a LC-FL method for the simultaneous determination of doxorubicin and celecoxib in nanoparticulate fixed dose combination (NanoFDC).

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