1240958-40-0Relevant academic research and scientific papers
Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease
Dias, Kris Simone T.,de Paula, Cynthia T.,dos Santos, Thiago,Souza, Isis N.O.,Boni, Marina S.,Guimar?es, Marcos J.R.,da Silva, Fernanda M.R.,Castro, Newton G.,Neves, Gilda A.,Veloso, Clarice C.,Coelho, Márcio M.,de Melo, Ivo Souza F.,Giusti, Fabiana C.V.,Giusti-Paiva, Alexandre,da Silva, Marcelo L.,Dardenne, Laurent E.,Guedes, Isabella A.,Pruccoli, Letizia,Morroni, Fabiana,Tarozzi, Andrea,Viegas, Claudio
, p. 440 - 457 (2017)
A novel series of feruloyl-donepezil hybrid compounds were designed, synthesized and evaluated as multitarget drug candidates for the treatment of Alzheimer's Disease (AD). In?vitro results revealed potent acetylcholinesterase (AChE) inhibitory activity f
Design, synthesis and biological evaluation of novel copper-chelating acetylcholinesterase inhibitors with pyridine N-benzylpiperidine fragments
Zhou, Yeheng,Sun, Wei,Peng, Jiale,Yan, Hui,Zhang, Li,Liu, Xingyong,Zuo, Zhili
supporting information, (2019/10/08)
Cholinergic depletion is the direct cause of disability and dementia among AD patients. AChE is a classical and key target of cholinergic disorders. Some new inhibitors of AChE combining pyridine, acylhydrazone and N-benzylpiperidine fragments were developed in this work. The hit structure was optimized to yield the compound 21 with an IC50 value of 6.62 nM against AChE, while almost no inhibitory effect against BChE. ADMET predictions and PAMPA permeability evaluation showed good drug-like property. The higher activity with an intermediate alkyl chain substitution indicates a new binding mode of inhibitor with AChE. This finding provides new insights into the binding mechanism and is helpful for discovery of novel high-activity AChE inhibitors.
Benzimidazole inhibitors of the protein kinase CHK2: Clarification of the binding mode by flexible side chain docking and protein-ligand crystallography
Matijssen, Cornelis,Silva-Santisteban, M. Cris,Westwood, Isaac M.,Siddique, Samerene,Choi, Vanessa,Sheldrake, Peter,Van Montfort, Rob L.M.,Blagg, Julian
supporting information, p. 6630 - 6639 (2013/01/15)
Two closely related binding modes have previously been proposed for the ATP-competitive benzimidazole class of checkpoint kinase 2 (CHK2) inhibitors; however, neither binding mode is entirely consistent with the reported SAR. Unconstrained rigid docking o
