Design-led synthesis and multidimensional evaluation of novel thiadiazoles as multitarget anti-Alzheimer agents: kinetics, DFT and in silico mapping
Shoaib Khan, Tayyiaba Iqbal, Ijaz Ali, Kasim Sakran Abass, Maher Fathalla, Eman Alzahrani, Nasir Ud Din, Hamdy Kashtoh, Abdulrahman Almehizia
Topics & Concepts
PharmacophoreChemistryIn silicoThioureaThiadiazolesCombinatorial chemistryMolecular dynamicsMolecular modelDocking (animal)ADMEComputational biologyComputational chemistryStereochemistryAffinitiesProfiling (computer programming)Quantitative structure–activity relationshipMicrobial Applications in Construction MaterialsEnzyme function and inhibitionSynthesis and biological activity