Design, synthesis, molecular docking and DFT studies on novel melatonin and isatin based azole derivatives
Keshav Kumar Saini, Ravindra Kumar Upadhyay, R. Kant, Arpita Vajpayee, Kalpana Jain, Amit Kumar, Lalita S. Kumar, Rakesh Kumar
Abstract
In order to address the pressing demand for newer broad-spectrum antifungal medicines with enhanced activity, computer modelling was utilised to rationally develop newer antifungal azole-based drugs.
Topics & Concepts
AzoleIsatinAntifungalDocking (animal)Broad spectrumCombinatorial chemistryChemistryPharmacologyFluconazolePharmacophoreComputational chemistryComputational biologyStereochemistryMedicineOrganic chemistryBiologyMicrobiologyNursingSynthesis and biological activitySynthesis and Biological EvaluationClick Chemistry and Applications