Synthesis and evaluation of the antagonistic activity of 3-acetyl-2H-benzo[g]chromen-2-one against mutant Y537S estrogen receptor alpha via E-Pharmacophore modeling, molecular docking, molecular dynamics, and in-vitro cytotoxicity studies
Ramanathan Shylaja, Chitra Loganathan, S. Kabilan, T Vijayakumar, C. Meganathan
Topics & Concepts
PharmacophoreChemistryDocking (animal)Estrogen receptor alphaMutantMolecular mechanicsMolecular dynamicsMolecular modelEstrogen receptorStereochemistryHomology modelingMutationBiochemistryComputational biologyEnzymeGeneticsComputational chemistryBiologyCancerBreast cancerNursingMedicineGeneComputational Drug Discovery MethodsSynthesis and biological activityClick Chemistry and Applications