Computational investigation of novel farnesyltransferase inhibitors using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking and molecular dynamics simulation studies: A new insight into cancer treatment
Arman Safavi, Elaheh Sadat Ghodousi, Mehdi Ghavamizadeh, Mohamad Sabaghan, Omid Azadbakht, Ali Veisi, Hossein Babaei, Zahra Nazeri, Mehrnaz Karimi Darabi, Vahid Zarezade
Topics & Concepts
PharmacophoreChemistryVirtual screeningFarnesyltransferaseQuantitative structure–activity relationshipDocking (animal)Molecular dynamicsLipinski's rule of fiveComputational biologyTraining setStereochemistryComputational chemistryEnzymeBiochemistryIn silicoComputer scienceArtificial intelligencePrenylationGeneNursingMedicineBiologyComputational Drug Discovery MethodsClick Chemistry and ApplicationsProtein Kinase Regulation and GTPase Signaling