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Synthesis, biological activity, X-ray crystallographic, DFT calculations and molecular dynamics simulation studies of 2-phenylthiazole-1,3,5-triazine derivatives as potential cholinesterase inhibitors

Jing‐Pei Zou, Xiao. Qing Zhang, Qian. Wen Guo, Xu. Hui Xu, Wei. Wei Liu, Feng Zhang, Da. Hua Shi, Da. Hua Shi

2024Journal of Molecular Structure13 citationsDOI

Topics & Concepts

ChemistryButyrylcholinesteraseAcetylcholinesteraseCholinesteraseMolecular dynamicsMoleculeMolecular orbitalStereochemistryDensity functional theoryComputational chemistryEnzymeOrganic chemistryAchéMedicineInternal medicineSynthesis and Characterization of Heterocyclic CompoundsComputational Drug Discovery MethodsSynthesis and biological activity
Synthesis, biological activity, X-ray crystallographic, DFT calculations and molecular dynamics simulation studies of 2-phenylthiazole-1,3,5-triazine derivatives as potential cholinesterase inhibitors | Litcius