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Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study

A series of halogen-directed donepezil drugs has been designed to inhibit acetyl cholinesterase (AChE). Density Functional theory (DFT) has been employed to optimize the chair as well as boat conformers of the parent drug and modified ligands at B3LYP/MidiX and B3LYP/6-311G + (d,p) level of theories...

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Detalles Bibliográficos
Autores principales:	Rahman, Adhip, Ali, Mohammad Tuhin, Shawan, Mohammad Mahfuz Ali Khan, Sarwar, Mohammed Golam, Khan, Mohammad A. K., Halim, Mohammad A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2016
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4987752/ https://www.ncbi.nlm.nih.gov/pubmed/27588239 http://dx.doi.org/10.1186/s40064-016-2996-5

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