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A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins

Rebaz Anwar Omer, Pelin Koparır, Kamuran Saraç, Metin Koparır, Damir A. Safin

2023Journal of Chemical Sciences56 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryDocking (animal)Thio-Molecular dynamicsThiopheneCoumarinCombinatorial chemistryStereochemistryCarbon-13 NMRMolecular modelComputational chemistryOrganic chemistryMedicineNursingSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsClick Chemistry and Applications
A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins | Litcius