Novel thiadiazol derivatives; design, synthesis, biological activity, molecular docking and molecular dynamics
Derya Osmani̇ye, Asaf Evrim Evren, Şevval Karaca, Yusuf Özkay, Zafer Asım Kaplancıklı
Topics & Concepts
ChemistryCelecoxibDocking (animal)Active siteIC50Molecular dynamicsBiological activityEnzymeStereochemistryMolecular modelIn vitroCombinatorial chemistryPharmacologyBiochemistryComputational chemistryNursingMedicineSynthesis and biological activityComputational Drug Discovery MethodsInflammatory mediators and NSAID effects