Identification of novel 4-thiazolidinones as new TcaR inhibitors: Design, synthesis, molecular docking, MD simulation, ADMET and in vitro antibacterial evaluation
Mahesh D. Vaghasiya, Jigarkumar V. Mendapara, Shaileshkumar P. Vaghasiya, Dhanji P. Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Topics & Concepts
ChemistryMorpholinePiperazineDocking (animal)In silicoStereochemistryCombinatorial chemistryMolecular modelTarget proteinLead compoundIn vitroBiochemistryOrganic chemistryMedicineNursingGeneSynthesis and biological activityComputational Drug Discovery MethodsClick Chemistry and Applications