Triazole based isatin derivatives as potential inhibitor of key cancer promoting kinases- insight from electronic structure, docking and molecular dynamics simulations
Suvankar Ghosh, T. Atchuta Ramarao, Pralok K. Samanta, Anjali Jha, Priyadarshi Satpati, Anik Sen
Topics & Concepts
IsatinDocking (animal)KinaseChemistryMolecular dynamicsStereochemistryBinding sitePharmacophoreCombinatorial chemistryBiochemistryComputational chemistryOrganic chemistryMedicineNursingClick Chemistry and ApplicationsComputational Drug Discovery MethodsCancer therapeutics and mechanisms