Synthesis and<i>in vitro</i>anti-proliferative evaluation of naphthalimide–chalcone/pyrazoline conjugates as potential SERMs with computational validation
Shalini Shalini, Pankaj, Sourav Saha, Mandeep Kaur, Ebenezer Oluwakemi, Paul Awolade, Parvesh Singh, Vipan Kumar
Abstract
MDA-MB-231 (ER-), cell lines. The structure-activity-relationship (SAR) was deduced based on the influence of linker length, substituents on the phenyl ring and the generated functionalities, on anti-proliferative activities. Docking simulations further delineate the type of interactions of the designed molecules with the selected targets. This report discloses the scope of triazole tethered naphthalimide-chalcone/pyrazoline conjugates as anti breast cancer agents.
Topics & Concepts
ChalconePyrazolineChemistryConjugateLinkerDocking (animal)In vitroCombinatorial chemistryStereochemistryBiochemistryMedicinal chemistryComputer scienceMathematicsOperating systemMathematical analysisMedicineNursingSynthesis and biological activityCancer therapeutics and mechanismsSynthesis and Biological Evaluation