Multifaceted exploration of acylthiourea compounds: In vitro cytotoxicity, DFT calculations, molecular docking and dynamics simulation studies
Jebiti Haribabu, Geetha Madhavan, Srividya Swaminathan, Murugesan Panneerselvam, Daniel Moraga, D. Gayathri, César Echeverría, Arunachalam Arulraj, Ramalinga Viswanathan Mangalaraja, Varaprasad Kokkarachedu, Juan F. Santibáñez, Rodrigo Ramírez‐Tagle
Topics & Concepts
MoietyCytotoxicityDocking (animal)ChemistryMolecular dynamicsIn vitroCombinatorial chemistryComputational chemistryStereochemistryMolecular modelBiochemistryNursingMedicineSynthesis and biological activityFree Radicals and AntioxidantsOrganic Chemistry Cycloaddition Reactions