Click-designed vanilloid-triazole conjugates as dual inhibitors of AChE and Aβ aggregation
Marwa Elsbaey, Yasuhiro Igarashi, Mahmoud A. A. Ibrahim, Eman M. Elattar
Abstract
, respectively. Post-MD analyses demonstrated high steadiness for compounds 9 and 8 with AChE and Aβ during the 100 ns MD course. This work suggests the triazole conjugate of vanilloids as a promising skeleton for developing multi-target potential AD therapeutics.
Topics & Concepts
Chemistry1,2,3-TriazoleMoietyTriazoleClick chemistryDocking (animal)TacrineStereochemistryAcetylcholinesteraseConjugateCombinatorial chemistryEnzymeOrganic chemistryNursingMathematical analysisMedicineMathematicsComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesClick Chemistry and Applications