Synthesis, enzymes inhibitory properties and characterization of 2- (bis (4-aminophenyl) methyl) butan-1-ol compound: Quantum simulations, and in-silico molecular docking studies
Ümit Yıldıko, Fikret Türkan, Aslıhan Aycan Tanrıverdi, Ahmet Çağrı Ata, Mehmet Nuri Atalar, İsmail Čakmak
Topics & Concepts
ChemistryIntramolecular forceHOMO/LUMODocking (animal)StereochemistryMoleculeFragment molecular orbitalIntermolecular forceComputational chemistryMolecular orbitalOrganic chemistryMedicineNursingComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesProtein Interaction Studies and Fluorescence Analysis