New azolyl-derivatives as multitargeting agents against breast cancer and fungal infections: synthesis, biological evaluation and docking study
Cristina Maccallini, Marialucia Gallorini, Francesca Sisto, Atilla Akdemir, Alessandra Ammazzalorso, Barbara De Filippis, Marialuigia Fantacuzzi, Letizia Giampietro, Simone Carradori, Amelia Cataldi, Rosa Amoroso
Abstract
strains. A docking study, as well as molecular dynamics simulation, were carried out to shed light on the binding mode of the most interesting compound into the different target enzymes catalytic sites.
Topics & Concepts
AromataseIndazolePharmacologyAzoleChemistryDocking (animal)Breast cancerCancerCancer researchMedicineAntifungalInternal medicineStereochemistryNursingDermatologySynthesis and biological activitySynthesis and Biological EvaluationBioactive Compounds and Antitumor Agents