Marine natural compounds as potential CBP bromodomain inhibitors for treating cancer: an in-silico approach using molecular docking, ADMET, molecular dynamics simulations and MM-PBSA binding free energy calculations
Md. Liakot Ali, Fabiha Noushin, Eva Azme, Md. Mahmudul Hasan, Neamul Hoque, Afroz Fathema Metu
Topics & Concepts
In silicoBromodomainMolecular dynamicsDocking (animal)ChemistryComputational biologyComputational chemistryBiochemistryBiologyMedicineEpigeneticsGeneNursingProtein Degradation and InhibitorsComputational Drug Discovery MethodsChromatin Remodeling and Cancer