ArticleACS omega2023
New Thiazole Carboxamide Derivatives as COX Inhibitors: Design, Synthesis, Anticancer Screening, In Silico Molecular Docking, and ADME Profile Studies.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 31 citations in OpenAlex.
- Inflammation and carcinogenesis: molecular targets and small-molecule intervention strategies.Journal of enzyme inhibition and medicinal chemistry · 2026Review
- Bioreactor-based production of eumelanin nanoparticles by Streptomyces glaucescens NEAE-H: physicochemical characterization, anticancer and anti-inflammatory activities, and in silico analysis.Scientific reports · 2026Article
- Synthesis of new pyrazolo[3,4-d]pyrimidines as potential mutant EGFR/HER2 and Bcl2 inhibitors: anticancer evaluation, DFT, molecular docking and ADME studies.BMC chemistry · 2026Article
- Enzyme-Targeted Antiproliferative Effects of Novel Indole-Acrylamide Xenobiotics Acting on Cyclooxygenase Pathways.Journal of xenobiotics · 2026Article
- Carboxamide: A Privileged Pharmacophore for the Development of Anti-infectious and Anti-cancer Drugs.Current topics in medicinal chemistry · 2026Review
- Trifluoromethyl-pyrazole-carboxamides as COX inhibitors: synthesis, microed structural analysis, computational profiling, and biological evaluation.BMC chemistry · 2025Article
- Recent advances in targeting COX-2 for cancer therapy: a review.RSC medicinal chemistry · 2025Review
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- In vitro investigation of the toxicological mechanisms of Fingolimod (S)-phosphate in HEPG2 cells.Toxicology research · 2025Article
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- Thiazole-carboxamide derivatives as potent antioxidant agents with drug-like properties: In vitro, molecular docking, and DFT studies.PloS one · 2025Article
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- Review
- 6-Bromo quinazoline derivatives as cytotoxic agents: design, synthesis, molecular docking and MD simulation.BMC chemistry · 2024Article
- Unveiling Anticancer Potential of COX-2 and 5-LOX Inhibitors: Cytotoxicity, Radiosensitization Potential and Antimigratory Activity against Colorectal and Pancreatic Carcinoma.Pharmaceutics · 2024Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The goal of this work was to create and test a new series of thiazole carboxamide derivatives for their cyclooxygenase (COX) suppressor and anticancer effects. The compounds were characterized using 1H, 13C NMR, and HRMS spectrum analysis, and their selectivity toward COX-1 and COX-2 was assessed using an in vitro COX inhibition assay kit. Cytotoxicity was assessed using an MTS assay against a panel of cancer and normal cell lines. The docking studies were aided by the Prime MM-GBSA method for estimating binding affinities. The density functional theory (DFT) analysis was performed to assess compound chemical reactivity, which was calculated by computing the border orbital energy of both HOMO and LUMO orbitals, as well as the HOMO-LUMO energy gap. For ADME-T analysis, the QiKProp module was employed. Furthermore, using human X-ray crystal structures, molecular docking studies were carried out to discover the probable binding patterns of these drugs within both COX-1 and COX-2 isozymes. The results demonstrated that the most effective compound against the COX-1 enzyme was
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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.