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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

2024Journal of Molecular Structure10 citationsDOI

Topics & Concepts

ChemistryADMEMolecular dynamicsDAPIComputational chemistryDocking (animal)Combinatorial chemistryStereochemistryApoptosisBiochemistryIn vitroNursingMedicineSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activitySynthesis and Reactivity of Heterocycles
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 | Litcius