Homology modelling, vHTS, pharmacophore, molecular docking and molecular dynamics studies for the identification of natural compound-derived inhibitor of MRP3 in acute leukaemia treatment
Femi Olawale, Opeyemi Iwaloye, Kolawole A. Olofinsan, Oludare M. Ogunyemi, Gideon Ampoma Gyebi, Ibrahim M. Ibrahim
Topics & Concepts
PharmacophoreMolecular dynamicsDocking (animal)ChemistryComputational chemistryComputational biologyStereochemistryBiologyNursingMedicineComputational Drug Discovery MethodsProtein Structure and DynamicsCancer therapeutics and mechanisms