Research graph
References from Design, Synthesis, and X-ray Characterization of Benzohydrazide Derivatives as Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease: An Experimental and Computational Approach to Biological Activity. Local targets link to admitted publications; unresolved targets remain external evidence.
Synthesis, characterization, inhibition effects, and molecular docking studies as acetylcholinesterase,α-glycosidase, and carbonic anhydrase inhibitors of novel benzenesulfonamides incorporating 1, 3, 5-triazine structural motifs
10.1016/j.bioorg.2020.103897 · 2020 · External reference
Oxidative stress and mRNA expression of acetylcholinesterase in the leukocytes of ischemic patients
10.1016/j.biopha.2017.01.003 · 2017 · External reference
Mechanisms and therapeutic potential of chinonin in nervous system diseases
10.1080/10286020.2024.2371040 · 2024 · External reference
Apelin-13 suppresses neuroinflammation against cognitive deficit in a streptozotocin-induced rat model of Alzheimer's disease through activation of BDNF-TrkB signaling pathway
10.3389/fphar.2019.00395 · 2019 · External reference
Changes in brain cholinesterases in senile dementia of Alzheimer type
10.1111/j.1365-2990.1978.tb00545.x · 1978 · External reference
The impact of some phenolic compounds on serum acetylcholinesterase: kinetic analysis of an enzyme/inhibitor interaction and molecular docking study
10.1080/07391102.2020.1801509 · 2021 · External reference
Cholinesterase inhibitors as Alzheimer's therapeutics
2019 · External reference
Neuroprotective effects of cholinesterase inhibitors: Current scenario in therapies for Alzheimer's disease and future perspectives
10.3233/adr-210061 · 2022 · External reference
Investigation of the enzyme-inhibitory, antibacterial, and anticancer properties of metal phthalocyanines
10.55730/1300-0527.3788 · 2026 · External reference
Benzenesulfonamide derivatives as potent acetylcholinesterase, α-glycosidase, and glutathione S-transferase inhibitors: biological evaluation and molecular docking studies
10.1080/07391102.2020.1790422 · 2021 · External reference
Structure-activity study of fluorine- or chlorine-substituted cinnamic acid derivatives with tertiary amine side chain in acetylcholinesterase and butyrylcholinesterase inhibition
10.1002/ddr.21515 · 2019 · External reference
Nitrogen-containing flavonoid and their analogs with diverse B-ring in acetylcholinesterase and butyrylcholinesterase inhibition
10.1002/ddr.21726 · 2020 · External reference
Design, synthesis, molecular docking, and crystal structure of benzohydrazide derivative as anti-cancer agents
10.1016/j.rechem.2026.103066 · 2026 · External reference
Benzohydrazide as a good precursor for the synthesis of novel bioactive and anti-oxidant 2-phenyl-1,3,4-oxadiazol-aminoacid derivatives: Structural determination, biological and anti-oxidant activity, Arab
2024 · External reference
Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues
10.1016/j.cdc.2024.101132 · 2024 · External reference
Synthesis, characterization, biological evaluation, and in silico studies of novel 1,3-diaryltriazene-substituted sulfathiazole derivatives
10.1002/ardp.202000102 · 2020 · External reference
Synthesis, bioactivity and molecular modeling studies on benzimidazole derivatives and its isosteres as potent AChE/BChE and GSK3β inhibitors for Alzheimer's disease
10.1111/cbdd.70285 · 2026 · External reference
Schiff Base-wrapped Co, Zn-based clusters with hierarchical chiral structures for therapeutic application in Parkinson's disease
10.1021/acs.inorgchem.6c00360 · 2026 · External reference
Quantitative structure–activity relationship (QSAR) studies as strategic approach in drug discovery
10.1007/s00044-014-1072-3 · 2014 · External reference
Hydrazones of 4-(trifluoromethyl)benzohydrazide as new inhibitors of acetyl- and butyrylcholinesterase
10.3390/molecules26040989 · 2021 · External reference
Novel inhibitors of acetyl- and butyrylcholinesterase derived from benzohydrazides: Synthesis, evaluation and docking study
10.3390/ph16020172 · 2023 · External reference
Targeting Alzheimer's diseases via nitro-substituted Schiff base derivatives: Synthesis, DFT, and molecular dynamics studies
10.1007/s40203-025-00544-w · 2026 · External reference
Synthesis, biological evaluation and molecular docking studies of new 4-(cyanomethyl)-N′-substituted benzohydrazide derivatives as anti-Alzheimer agents
10.1002/ddr.70166 · 2025 · External reference
Machine learning-guided repurposing of FDA-approved quinolones as dual cholinesterase inhibitors: A multi-level docking, molecular dynamics, DFT, and SHAP-based analysis
10.1016/j.jmgm.2025.109259 · 2026 · External reference
In vivo and bioinformatics evaluation of nine traditional Chinese medicine compounds targeting acetylcholinesterase and butyrylcholinesterase enzymes in Alzheimer's disease, Iran
2025 · External reference
Sustainable drug discovery of multi-target-directed ligands for Alzheimer's disease
10.1021/acs.jmedchem.1c00048 · 2021 · External reference
Multi-target-directed ligand approach in anti-Alzheimer's drug discovery
2023 · External reference
Design, synthesis, and molecular docking studies of novel pyrazoline-thiazoles as cholinesterase dual-target inhibitors for the treatment of Alzheimer's disease
10.1021/acsomega.5c01055 · 2025 · External reference
Glial cell nutrient sensing: Mechanisms of nutrients regulating Alzheimer's pathogenesis and precision intervention
10.1080/10408398.2025.2568606 · 2026 · External reference
The intricate microbial-gut-brain axis in Alzheimer's disease: A review of microbiota-targeted strategies
10.1039/d5fo03139g · 2025 · External reference
Elucidating pathway-selective biased CCKBR agonism for Alzheimer's disease treatment
10.1016/j.cell.2025.10.034 · 2026 · External reference
Copper-promoted oxidative intramolecular C–H amination of hydrazones to synthesize 1H-indazoles and 1H-pyrazoles using a cleavable directing group
10.1002/ejoc.201900947 · 2019 · External reference
Manganese-catalyzed asymmetric transfer hydrogenation of hydrazones
10.1016/j.jcat.2022.06.045 · 2022 · External reference
OLEX2: A complete structure solution, refinement and analysis program
10.1107/s0021889808042726 · 2009 · External reference
SHELXT-Integrated space-group and crystal-structure determination
10.1107/s2053273314026370 · 2015 · External reference
Mercury: Visualization and analysis of crystal structures
10.1107/s002188980600731x · 2006 · External reference
A new and rapid colorimetric determination of acetylcholinesterase activity
10.1016/0006-2952(61)90145-9 · 1961 · External reference
Determination of the antioxidant capacity of puerarin and its effect on cholinesterases by in vitro and in silico methods
10.1002/slct.202302751 · 2023 · External reference
Synthesis, characterization, biological properties, and sensor applications of novel thiosemicarbazone derivatives
10.1002/bab.70001 · 2026 · External reference
The determination of enzyme dissociation constants
10.1021/ja01318a036 · 1934 · External reference
Sulfonamide-bearing pyrazolone derivatives as multitarget therapeutic agents: Design, synthesis, characterization, biological evaluation, in silico ADME/T profiling and molecular docking study
10.1002/prp2.70088 · 2025 · External reference
Open Babel: An open chemical toolbox
10.1186/1758-2946-3-33 · 2011 · External reference
AutoDock Vina 1.2.0: New docking methods, expanded force field, and Python bindings
10.1021/acs.jcim.1c00203 · 2021 · External reference
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · 2010 · External reference
Validation of molecular docking programs for virtual screening against dihydropteroate synthase
10.1021/ci800293n · 2009 · External reference
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
10.1016/s0169-409x(00)00129-0 · 2001 · External reference
Molecular properties that influence the oral bioavailability of drug candidates
10.1021/jm020017n · 2002 · External reference
A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases
10.1021/cc9800071 · 1999 · External reference
Prediction of drug absorption using multivariate statistics
10.1021/jm000292e · 2000 · External reference
Prediction of drug absorption using multivariate statistics
10.1021/jm000292e · 2000 · External reference
Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
10.1002/cmdc.200700139 · 2008 · External reference
ESOL: Estimating aqueous solubility directly from molecular structure
10.1021/ci034243x · 2004 · External reference
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
10.1016/j.softx.2015.06.001 · 2015 · External reference
Essential dynamics of proteins
10.1002/prot.340170408 · 1993 · External reference
CHARMM36m: An improved force field for folded and intrinsically disordered proteins
10.1038/nmeth.4067 · 2017 · External reference
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
10.1002/jcc.21367 · 2010 · External reference
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges
10.1021/ci3003649 · 2012 · External reference
Comparison of simple potential functions for simulating liquid water
10.1063/1.445869 · 1983 · External reference
Canonical sampling through velocity rescaling
10.1063/1.2408420 · 2007 · External reference
Polymorphic transitions in single crystals: A new molecular dynamics method
10.1063/1.328693 · 1981 · External reference
LINCS: A linear constraint solver for molecular simulations
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h · 1997 · External reference
Particle mesh Ewald: An N log(N) method for Ewald sums in large systems
10.1063/1.464397 · 1993 · External reference
Matplotlib: A 2D graphics environment
10.1109/mcse.2007.55 · 2007 · External reference
Design, synthesis, crystal structure, in vitro cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido)benzohydrazide derivatives as potent AChE and BChE inhibitors
10.1039/d1ra07221h · 2022 · External reference
In silico design and development of benzyl piperazine conjugates for targeting choline esterase pathway in Alzheimer's disease
10.1016/j.insi.2026.100315 · 2026 · External reference
Hydrazones of 4-(trifluoromethyl)benzohydrazide as new inhibitors of acetyl- and butyrylcholinesterase
10.3390/molecules26040989 · 2021 · External reference
Is it reliable to take the molecular docking top scoring position as the best solution without considering available structural data?
10.3390/molecules23051038 · 2018 · External reference
A review on biological activities and chemical synthesis of hydrazide derivatives
10.2174/092986712798918789 · 2012 · External reference
Biological activities of hydrazone derivatives
10.3390/12081910 · 2007 · External reference
Computational studies on acetylcholinesterases
10.3390/molecules22081324 · 2017 · External reference
Nanosecond dynamics of the mouse acetylcholinesterase Cys69-Cys96 omega loop
10.1074/jbc.m303730200 · 2003 · External reference
Molecular dynamics revealing a detour-forward release mechanism of tacrine: implication for the specific binding characteristics in butyrylcholinesterase
10.3389/fchem.2020.00730 · 2020 · External reference
Putting the puzzle together to get the whole picture: Molecular basis of the affinity of two steroid derivatives to acetylcholinesterase
10.1021/acsomega.3c03749 · 2023 · External reference
Enzymatic activity versus structural dynamics: the case of acetylcholinesterase tetramer
10.1016/j.bpj.2009.05.033 · 2009 · External reference
LINCS: A linear constraint solver for molecular simulations
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h · ExternalCitation · doi-reference
Synthesis, characterization, biological evaluation, and in silico studies of novel 1,3-diaryltriazene-substituted sulfathiazole derivatives
10.1002/ardp.202000102 · ExternalCitation · doi-reference
Synthesis, characterization, biological properties, and sensor applications of novel thiosemicarbazone derivatives
10.1002/bab.70001 · ExternalCitation · doi-reference
Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
10.1002/cmdc.200700139 · ExternalCitation · doi-reference
Structure-activity study of fluorine- or chlorine-substituted cinnamic acid derivatives with tertiary amine side chain in acetylcholinesterase and butyrylcholinesterase inhibition
10.1002/ddr.21515 · ExternalCitation · doi-reference
Nitrogen-containing flavonoid and their analogs with diverse B-ring in acetylcholinesterase and butyrylcholinesterase inhibition
10.1002/ddr.21726 · ExternalCitation · doi-reference
Synthesis, biological evaluation and molecular docking studies of new 4-(cyanomethyl)-N′-substituted benzohydrazide derivatives as anti-Alzheimer agents
10.1002/ddr.70166 · ExternalCitation · doi-reference
Copper-promoted oxidative intramolecular C–H amination of hydrazones to synthesize 1H-indazoles and 1H-pyrazoles using a cleavable directing group
10.1002/ejoc.201900947 · ExternalCitation · doi-reference
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · ExternalCitation · doi-reference
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
10.1002/jcc.21367 · ExternalCitation · doi-reference
Essential dynamics of proteins
10.1002/prot.340170408 · ExternalCitation · doi-reference
Sulfonamide-bearing pyrazolone derivatives as multitarget therapeutic agents: Design, synthesis, characterization, biological evaluation, in silico ADME/T profiling and molecular docking study
10.1002/prp2.70088 · ExternalCitation · doi-reference
Determination of the antioxidant capacity of puerarin and its effect on cholinesterases by in vitro and in silico methods
10.1002/slct.202302751 · ExternalCitation · doi-reference
Quantitative structure–activity relationship (QSAR) studies as strategic approach in drug discovery
10.1007/s00044-014-1072-3 · ExternalCitation · doi-reference
Targeting Alzheimer's diseases via nitro-substituted Schiff base derivatives: Synthesis, DFT, and molecular dynamics studies
10.1007/s40203-025-00544-w · ExternalCitation · doi-reference
A new and rapid colorimetric determination of acetylcholinesterase activity
10.1016/0006-2952(61)90145-9 · ExternalCitation · doi-reference
Synthesis, characterization, inhibition effects, and molecular docking studies as acetylcholinesterase,α-glycosidase, and carbonic anhydrase inhibitors of novel benzenesulfonamides incorporating 1, 3, 5-triazine structural motifs
10.1016/j.bioorg.2020.103897 · ExternalCitation · doi-reference
Oxidative stress and mRNA expression of acetylcholinesterase in the leukocytes of ischemic patients
10.1016/j.biopha.2017.01.003 · ExternalCitation · doi-reference
Enzymatic activity versus structural dynamics: the case of acetylcholinesterase tetramer
10.1016/j.bpj.2009.05.033 · ExternalCitation · doi-reference
Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues
10.1016/j.cdc.2024.101132 · ExternalCitation · doi-reference
Elucidating pathway-selective biased CCKBR agonism for Alzheimer's disease treatment
10.1016/j.cell.2025.10.034 · ExternalCitation · doi-reference
In silico design and development of benzyl piperazine conjugates for targeting choline esterase pathway in Alzheimer's disease
10.1016/j.insi.2026.100315 · ExternalCitation · doi-reference
Manganese-catalyzed asymmetric transfer hydrogenation of hydrazones
10.1016/j.jcat.2022.06.045 · ExternalCitation · doi-reference
Machine learning-guided repurposing of FDA-approved quinolones as dual cholinesterase inhibitors: A multi-level docking, molecular dynamics, DFT, and SHAP-based analysis
10.1016/j.jmgm.2025.109259 · ExternalCitation · doi-reference
Design, synthesis, molecular docking, and crystal structure of benzohydrazide derivative as anti-cancer agents
10.1016/j.rechem.2026.103066 · ExternalCitation · doi-reference
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
10.1016/j.softx.2015.06.001 · ExternalCitation · doi-reference
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
10.1016/s0169-409x(00)00129-0 · ExternalCitation · doi-reference
Schiff Base-wrapped Co, Zn-based clusters with hierarchical chiral structures for therapeutic application in Parkinson's disease
10.1021/acs.inorgchem.6c00360 · ExternalCitation · doi-reference
AutoDock Vina 1.2.0: New docking methods, expanded force field, and Python bindings
10.1021/acs.jcim.1c00203 · ExternalCitation · doi-reference
Sustainable drug discovery of multi-target-directed ligands for Alzheimer's disease
10.1021/acs.jmedchem.1c00048 · ExternalCitation · doi-reference
Putting the puzzle together to get the whole picture: Molecular basis of the affinity of two steroid derivatives to acetylcholinesterase
10.1021/acsomega.3c03749 · ExternalCitation · doi-reference
Design, synthesis, and molecular docking studies of novel pyrazoline-thiazoles as cholinesterase dual-target inhibitors for the treatment of Alzheimer's disease
10.1021/acsomega.5c01055 · ExternalCitation · doi-reference
A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases
10.1021/cc9800071 · ExternalCitation · doi-reference
ESOL: Estimating aqueous solubility directly from molecular structure
10.1021/ci034243x · ExternalCitation · doi-reference
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges
10.1021/ci3003649 · ExternalCitation · doi-reference
Validation of molecular docking programs for virtual screening against dihydropteroate synthase
10.1021/ci800293n · ExternalCitation · doi-reference
The determination of enzyme dissociation constants
10.1021/ja01318a036 · ExternalCitation · doi-reference
Prediction of drug absorption using multivariate statistics
10.1021/jm000292e · ExternalCitation · doi-reference
Molecular properties that influence the oral bioavailability of drug candidates
10.1021/jm020017n · ExternalCitation · doi-reference
CHARMM36m: An improved force field for folded and intrinsically disordered proteins
10.1038/nmeth.4067 · ExternalCitation · doi-reference
Design, synthesis, crystal structure, in vitro cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido)benzohydrazide derivatives as potent AChE and BChE inhibitors
10.1039/d1ra07221h · ExternalCitation · doi-reference
The intricate microbial-gut-brain axis in Alzheimer's disease: A review of microbiota-targeted strategies
10.1039/d5fo03139g · ExternalCitation · doi-reference
Canonical sampling through velocity rescaling
10.1063/1.2408420 · ExternalCitation · doi-reference
Polymorphic transitions in single crystals: A new molecular dynamics method
10.1063/1.328693 · ExternalCitation · doi-reference
Comparison of simple potential functions for simulating liquid water
10.1063/1.445869 · ExternalCitation · doi-reference
Particle mesh Ewald: An N log(N) method for Ewald sums in large systems
10.1063/1.464397 · ExternalCitation · doi-reference
Nanosecond dynamics of the mouse acetylcholinesterase Cys69-Cys96 omega loop
10.1074/jbc.m303730200 · ExternalCitation · doi-reference
Benzenesulfonamide derivatives as potent acetylcholinesterase, α-glycosidase, and glutathione S-transferase inhibitors: biological evaluation and molecular docking studies
10.1080/07391102.2020.1790422 · ExternalCitation · doi-reference
The impact of some phenolic compounds on serum acetylcholinesterase: kinetic analysis of an enzyme/inhibitor interaction and molecular docking study
10.1080/07391102.2020.1801509 · ExternalCitation · doi-reference
Mechanisms and therapeutic potential of chinonin in nervous system diseases
10.1080/10286020.2024.2371040 · ExternalCitation · doi-reference
Glial cell nutrient sensing: Mechanisms of nutrients regulating Alzheimer's pathogenesis and precision intervention
10.1080/10408398.2025.2568606 · ExternalCitation · doi-reference
Mercury: Visualization and analysis of crystal structures
10.1107/s002188980600731x · ExternalCitation · doi-reference
OLEX2: A complete structure solution, refinement and analysis program
10.1107/s0021889808042726 · ExternalCitation · doi-reference
SHELXT-Integrated space-group and crystal-structure determination
10.1107/s2053273314026370 · ExternalCitation · doi-reference
Matplotlib: A 2D graphics environment
10.1109/mcse.2007.55 · ExternalCitation · doi-reference
Synthesis, bioactivity and molecular modeling studies on benzimidazole derivatives and its isosteres as potent AChE/BChE and GSK3β inhibitors for Alzheimer's disease
10.1111/cbdd.70285 · ExternalCitation · doi-reference
Changes in brain cholinesterases in senile dementia of Alzheimer type
10.1111/j.1365-2990.1978.tb00545.x · ExternalCitation · doi-reference
Open Babel: An open chemical toolbox
10.1186/1758-2946-3-33 · ExternalCitation · doi-reference
A review on biological activities and chemical synthesis of hydrazide derivatives
10.2174/092986712798918789 · ExternalCitation · doi-reference
Neuroprotective effects of cholinesterase inhibitors: Current scenario in therapies for Alzheimer's disease and future perspectives
10.3233/adr-210061 · ExternalCitation · doi-reference
Molecular dynamics revealing a detour-forward release mechanism of tacrine: implication for the specific binding characteristics in butyrylcholinesterase
10.3389/fchem.2020.00730 · ExternalCitation · doi-reference
Apelin-13 suppresses neuroinflammation against cognitive deficit in a streptozotocin-induced rat model of Alzheimer's disease through activation of BDNF-TrkB signaling pathway
10.3389/fphar.2019.00395 · ExternalCitation · doi-reference
Biological activities of hydrazone derivatives
10.3390/12081910 · ExternalCitation · doi-reference
Computational studies on acetylcholinesterases
10.3390/molecules22081324 · ExternalCitation · doi-reference
Is it reliable to take the molecular docking top scoring position as the best solution without considering available structural data?
10.3390/molecules23051038 · ExternalCitation · doi-reference
Hydrazones of 4-(trifluoromethyl)benzohydrazide as new inhibitors of acetyl- and butyrylcholinesterase
10.3390/molecules26040989 · ExternalCitation · doi-reference
Novel inhibitors of acetyl- and butyrylcholinesterase derived from benzohydrazides: Synthesis, evaluation and docking study
10.3390/ph16020172 · ExternalCitation · doi-reference
Investigation of the enzyme-inhibitory, antibacterial, and anticancer properties of metal phthalocyanines
10.55730/1300-0527.3788 · ExternalCitation · doi-reference
