Design, synthesis and apoptotic activity of substituted chalcones tethered 1,3,5-triazine hybrids: An insights from molecular docking, molecular dynamics simulations, DFT, ADME, and DAPI analyses
Naganjaneyulu Gariganti, Eswar Pagadala, Shiva Krishna Loke, Anjaneyulu Javisetti, Bhaskar Poola, Suliman Sharif, Venkatesan Srinivasadesikan, Naresh Kumar Katari, Ravi K. Kottalanka
Topics & Concepts
ChemistryADMEMolecular dynamicsDAPIComputational chemistryDocking (animal)Combinatorial chemistryStereochemistryApoptosisBiochemistryIn vitroNursingMedicineSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activitySynthesis and Reactivity of Heterocycles