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P4‐016: MULTITARGET‐DIRECTED PHYTOCHEMICALS TOWARD ACETYLCHOLINESTERASE, BACE‐1 AND GSK‐3B TO COMBAT ALZHEIMER'S DISEASE
Author(s) -
Christopher Joanna R.,
Dandamuni Usharani,
Palombo Enzo,
Kapoor Ajay
Publication year - 2018
Publication title -
alzheimer's and dementia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.713
H-Index - 118
eISSN - 1552-5279
pISSN - 1552-5260
DOI - 10.1016/j.jalz.2018.06.2418
Subject(s) - chemistry , docking (animal) , acetylcholinesterase , gsk 3 , drug discovery , biochemistry , enzyme , viability assay , pharmacology , in vitro , ic50 , kinase , biology , medicine , nursing
Background: Regardless of the various approaches for the discovery of novel therapeutics, phytochemicals remain a comprehensive source for new structural leads and prospective drug candidates. The present study analyzed the effects of multi-potent phytochemicals on the primary targets implicated in different pathophysiological pathways of Alzheimer’s disease (AD), namely acetylcholinesterase (AChE) involved in neurotransmission, b-secretase (BACE-1) in the amyloid cascade pathway and glycogen synthase kinase 3 beta (GSK-3b) in tau hyperphosphorylation. Consequently, interfering at these three crucial steps of AD pathology simultaneously may perhaps show a reasonable disease-modifying outcome. Methods: The molecular docking studies of phytochemicals were performed in the GLIDE program with initial extreme precision (XP) mode and induced fit docking (IFD) mode