Research graph
References from Virtual screening, structural optimization, computational studies, and biological evaluation of quinoline derivatives as selective butyrylcholinesterase inhibitors. Local targets link to admitted publications; unresolved targets remain external evidence.
Alzheimer's disease
10.1016/s0140-6736(15)01124-1 · 2016 · External reference
NIA-AA research framework: toward a biological definition of Alzheimer's disease
10.1016/j.jalz.2018.02.018 · 2018 · External reference
AD hypotheses and suggested clinical trials
10.1021/acschemneuro.1c00627 · 2021 · External reference
Alzheimer disease: an update on pathobiology and treatment strategies
10.1016/j.cell.2019.09.001 · 2019 · External reference
Basal forebrain cholinergic dysfunction in alzheimer's disease – interrelationship with β-amyloid, inflammation and neurotrophin signaling
10.1007/s11064-005-6962-9 · 2005 · External reference
Immune attack: the role of inflammation in Alzheimer disease
10.1038/nrn3880 · 2015 · External reference
β-Site APP cleaving enzyme up-regulation induced by 4-hydroxynonenal is mediated by stress-activated protein kinases pathways
10.1111/j.1471-4159.2004.02895.x · 2005 · External reference
Review of human butyrylcholinesterase structure, function, genetic variants, history of use in the clinic, and potential therapeutic uses
10.1016/j.pharmthera.2014.11.011 · 2015 · External reference
Carbamate-based N-substituted tryptamine derivatives as novel pleiotropic molecules for Alzheimer's disease
10.1016/j.bioorg.2022.105844 · 2022 · External reference
New insights into butyrylcholinesterase: pharmaceutical applications, selective inhibitors and multitarget-directed ligands
10.1016/j.ejmech.2024.116569 · 2024 · External reference
Recent progress in the identification of selective butyrylcholinesterase inhibitors for Alzheimer's disease
10.1016/j.ejmech.2017.03.062 · 2017 · External reference
Neuroinflammation: the role and consequences
10.1016/j.neures.2013.10.004 · 2014 · External reference
Neuroinflammation in Alzheimer's disease: current evidence and future directions
10.1016/j.jalz.2016.02.010 · 2016 · External reference
Lycium barbarum extract promotes M2 polarization and reduces oligomeric amyloid-β-induced inflammatory reactions in microglial cells
10.4103/1673-5374.314325 · 2022 · External reference
Metallostasis in Alzheimer's disease
10.1016/j.freeradbiomed.2012.10.558 · 2013 · External reference
Discovery of novel thiosemicarbazone-acridine targeting butyrylcholinesterase with antioxidant, metal complexing and neuroprotector abilities as potential treatment of Alzheimer's disease: in vitro, in vivo, and in silico studies
10.1016/j.ejmech.2024.117030 · 2025 · External reference
Multi-target-directed ligands for treating Alzheimer's disease: butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities
10.1016/j.ejmech.2018.07.033 · 2018 · External reference
Untangling amyloid-β, tau, and metals in alzheimer's disease
10.1021/cb400080f · 2013 · External reference
Oxidative stress and the amyloid beta peptide in Alzheimer's disease
10.1016/j.redox.2017.10.014 · 2018 · External reference
Novel sampangine derivatives as potent inhibitors of Cu2+−mediated amyloid-β protein aggregation, oxidative stress and inflammation
10.1016/j.ijbiomac.2021.01.091 · 2021 · External reference
Synthesis, characterization and antimicrobial studies of some new quinoline incorporated benzimidazole derivatives
10.1016/j.ejmech.2012.05.027 · 2012 · External reference
Synthesis, molecular docking and anti-inflammatory screening of novel quinoline incorporated pyrazole derivatives using the Pfitzinger reaction II
10.1016/j.bioorg.2014.12.003 · 2015 · External reference
Dopamine D3 /D2 receptor ligands based on Cariprazine for the treatment of psychostimulant use disorders that may be dual diagnosed with affective disorders
10.1021/acs.jmedchem.2c01624 · 2023 · External reference
Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor
10.1021/jm501195e · 2014 · External reference
Uni-dock: GPU-accelerated docking enables ultralarge virtual screening
10.1021/acs.jctc.2c01145 · 2023 · External reference
N-benzyl benzamide derivatives as selective sub-nanomolar butyrylcholinesterase inhibitors for possible treatment in advanced Alzheimer's disease
10.1021/acs.jmedchem.2c00944 · 2022 · External reference
Discovery and structure–activity relationships of a highly selective butyrylcholinesterase inhibitor by structure-based virtual screening
10.1021/acs.jmedchem.6b00356 · 2016 · External reference
Heteroleptic copper(I) complexes incorporating sterically demanding diazabutadiene ligands (DABs). Synthesis, spectroscopic characterization and solid state structural analysis
10.1016/j.poly.2019.07.033 · 2019 · External reference
Preparation and evaluation of bipyridyl-tagged reagents and scavengers
10.1016/j.tet.2004.05.106 · 2004 · External reference
Sensitization of nanocrystalline TiO2 with black absorbers based on Os and Ru polypyridine complexes
10.1021/ja053438d · 2005 · External reference
A new and rapid colorimetric determination of acetylcholinesterase activity
10.1016/0006-2952(61)90145-9 · 1961 · External reference
Isothermal titration calorimetry
10.1038/s43586-023-00199-x · 2023 · External reference
Applications of isothermal titration calorimetry - the research and technical developments from 2011 to 2015: review of isothermal titration calorimetry from 2011 to 2015
10.1002/jmr.2550 · 2016 · External reference
Evaluation of butyrylcholinesterase inhibitory activity by chlorogenic acids and coffee extracts assed in ITC and docking simulation models
10.1016/j.foodres.2018.04.041 · 2018 · External reference
Design and synthesis of thiazole-derived α,β-unsaturated ketones as potential antimalarial agents: integrated biophysical and computational insights into putative PfLDH targeting
10.1016/j.bioorg.2026.109876 · 2026 · External reference
Mutagenesis of human acetylcholinesterase. Identification of residues involved in catalytic activity and in polypeptide folding
10.1016/s0021-9258(19)37091-7 · 1992 · External reference
ProLIF: a library to encode molecular interactions as fingerprints
2021 · External reference
Discovery of new butyrylcholinesterase inhibitors via structure-based virtual screening
10.1080/14756366.2019.1644329 · 2019 · External reference
Strategies for structural modification of small molecules to improve blood–brain barrier penetration: a recent perspective
10.1021/acs.jmedchem.1c00910 · 2021 · External reference
High throughput artificial membrane permeability assay for blood–brain barrier
10.1016/s0223-5234(03)00012-6 · 2003 · External reference
The role of peripheral inflammatory insults in Alzheimer's disease: a review and research roadmap
10.1186/s13024-023-00627-2 · 2023 · External reference
The neuroprotection of verbascoside in Alzheimer's disease mediated through mitigation of neuroinflammation via blocking NF-κB-p65 signaling
2022 · External reference
Design, synthesis, and biological evaluation of novel (4-(1,2,4-oxadiazol-5-yl)phenyl)-2-aminoacetamide derivatives as multifunctional agents for the treatment of Alzheimer's disease
10.1016/j.ejmech.2021.113973 · 2022 · External reference
Antimalarial drug artemether inhibits neuroinflammation in BV2 microglia through Nrf2-dependent mechanisms
10.1007/s12035-015-9543-1 · 2016 · External reference
Discovery of novel substituted (Z)-N′-hydroxy-3-(3-phenylureido)benzimidamide derivatives as multifunctional molecules targeting pathological hallmarks of Alzheimer's disease
10.1016/j.ejmech.2024.116959 · 2024 · External reference
Unresolved reference
External reference
The PyMOL molecular graphics system
2015 · External reference
Unresolved reference
External reference
Multiwfn: a multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
10.1063/5.0216272 · 2024 · External reference
gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS
10.1021/acs.jctc.1c00645 · 2021 · External reference
Synthesis, in vitro biological evaluation and in silico molecular docking study of hydroxy-quinoline based sulfonohydrazide derivatives as potential acetylcholinesterase and butyrylcholinesterase inhibitors
10.1016/j.molstruc.2024.137884 · 2024 · External reference
Cholinesterase activity modulators: evaluation of dodecylaminoquinuclidines as inhibitors of human AChE and BChE
10.1016/j.cbi.2025.111567 · 2025 · External reference
Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase
10.1016/j.cbi.2019.05.024 · 2019 · External reference
