Novel s-triazine derivatives as potential anticancer agents: Synthesis, DFT, DNA binding, molecular docking, MD simulation and in silico ADMET profiling
Alia Mushtaq, Muhammad Moazzam Naseer
Topics & Concepts
ChemistryIn silicoDocking (animal)TriazineComputational biologyCombinatorial chemistryDNAProfiling (computer programming)StereochemistryComputational chemistryBiochemistryOrganic chemistryGeneBiologyNursingComputer scienceMedicineOperating systemSynthesis and Characterization of Heterocyclic CompoundsClick Chemistry and ApplicationsSynthesis and biological activity