ArticlePharmaceuticals (Basel, Switzerland)2020
Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach.
Article in Pharmaceuticals (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 72 citations in OpenAlex.
- In Vitro and In Silico Insights into the Antiproliferative Activity of Sesquiterpenes fromInternational journal of molecular sciences · 2026Article
- Investigation of Novel Etoricoxib Analogues as Potential COX-II Inhibitors through a Bioisosteric Strategy, ADMET Evaluations, Docking Studies, and Molecular Dynamics Simulations.Current computer-aided drug design · 2026Article
- Identification of Novel Human 15-Lipoxygenase-2 (h15-LOX-2) Inhibitors Using a Virtual Screening Approach.Journal of medicinal chemistry · 2025Article
- Exploring Type II Diabetes Inhibitors from Genus Daphne Plant-species: An Integrated Computational Study.Combinatorial chemistry & high throughput screening · 2025Article
- Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Antioxidant, LC-MS Analysis, and Cholinesterase Inhibitory Potentials ofBiomolecules · 2023Article
- Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2.International journal of molecular sciences · 2023Article
- Novel Functionalized Spiro [Indoline-3,5'-pyrroline]-2,2'dione Derivatives: Synthesis, Characterization, Drug-Likeness, ADME, and Anticancer Potential.International journal of molecular sciences · 2023Article
- Potential peptidyl arginine deiminase type 4 inhibitors fromIn silico pharmacology · 2023Article
- First Report on the Chemical Composition, Antioxidant Capacity, and Preliminary Toxicity toAntioxidants (Basel, Switzerland) · 2022Article
- Acute Toxicity and Anti-Inflammatory Activity ofMolecules (Basel, Switzerland) · 2022Article
- In Silico Evaluation of the Antimicrobial Activity of Thymol-Major Compounds in the Essential Oil ofMolecules (Basel, Switzerland) · 2022Article
- Identification of Potential Insect Growth Inhibitor againstInternational journal of molecular sciences · 2022Article
- Non-steroidal anti-inflammatory drugs: recent advances in the use of synthetic COX-2 inhibitors.RSC medicinal chemistry · 2022Review
- Identification of Potential Antiviral Inhibitors from Hydroxychloroquine and 1,2,4,5-Tetraoxanes Analogues and Investigation of the Mechanism of Action in SARS-CoV-2.International journal of molecular sciences · 2022Article
- Chemical Composition and Preliminary Toxicity Evaluation of the Essential Oil fromMolecules (Basel, Switzerland) · 2021Article
- Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches.Molecules (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
10 authors at 4 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The cyclooxygenase-2 receptor is a therapeutic target for planning potential drugs with anti-inflammatory activity. The selective cyclooxygenase-2 (COX-2) inhibitor rofecoxib was selected as a pivot molecule to perform virtual ligand-based screening from six commercial databases. We performed the search for similarly shaped Rapid Overlay of Chemical Structures (ROCS) and electrostatic (EON) compounds. After, we used pharmacokinetic and toxicological parameters to determine the best potential compounds, obtained through the softwares QikProp and Derek, respectively. Then, the compounds proceeded to the molecular anchorage study, which showed promising results of binding affinity with the
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.