On the public citation graph

Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity Properties

0 signed · 86 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.20222openalex-snapshot
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach
inferredcites →https://doi.org/10.1002/jcc.20292openalex-snapshot
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
inferredcites →https://doi.org/10.1007/s10822-007-9133-zopenalex-snapshot
Epik: a software program for pK a prediction and protonation state generation for drug-like molecules
inferredcites →https://doi.org/10.1016/0006-2952(91)90471-gopenalex-snapshot
New directions in monoamine oxidase A and B selective inhibitors and substrates
inferredcites →https://doi.org/10.1016/0014-5793(93)81512-xopenalex-snapshot
Characterisation of wild‐type and mutant forms of human monoamine oxidase A and B expressed in a mammalian cell line
inferredcites →https://doi.org/10.1016/j.bioorg.2016.11.004openalex-snapshot
Symmetrical aryl linked bis-iminothiazolidinones as new chemical entities for the inhibition of monoamine oxidases: Synthesis, in vitro biological evaluation and molecular modelling analysis
inferredcites →https://doi.org/10.1016/j.bmc.2004.03.010openalex-snapshot
Fluorinated phenylcyclopropylamines. Part 3: Inhibition of monoamine oxidase A and B
inferredcites →https://doi.org/10.1016/j.bmc.2011.10.038openalex-snapshot
Time-dependent slowly-reversible inhibition of monoamine oxidase A by N-substituted 1,2,3,6-tetrahydropyridines
inferredcites →https://doi.org/10.1016/j.bmc.2013.02.017openalex-snapshot
A comprehensive review on synthesis and designing aspects of coumarin derivatives as monoamine oxidase inhibitors for depression and Alzheimer’s disease
inferredcites →https://doi.org/10.1016/j.bmc.2013.10.004openalex-snapshot
Chromenylchalcones with inhibitory effects on monoamine oxidase B
inferredcites →https://doi.org/10.1016/j.bmc.2014.03.042openalex-snapshot
Identification of the stereochemical requirements in the 4-aryl-2-cycloalkylidenhydrazinylthiazole scaffold for the design of selective human monoamine oxidase B inhibitors
inferredcites →https://doi.org/10.1016/j.bmc.2014.12.063openalex-snapshot
Reversible and irreversible small molecule inhibitors of monoamine oxidase B (MAO-B) investigated by biophysical techniques
inferredcites →https://doi.org/10.1016/j.bmc.2015.08.012openalex-snapshot
Synthesis of a series of unsaturated ketone derivatives as selective and reversible monoamine oxidase inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2011.02.030openalex-snapshot
Development of selective and reversible pyrazoline based MAO-B inhibitors: Virtual screening, synthesis and biological evaluation
inferredcites →https://doi.org/10.1016/j.bmcl.2017.01.050openalex-snapshot
DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer’s therapy
inferredcites →https://doi.org/10.1016/j.ejmech.2013.09.034openalex-snapshot
Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors
inferredcites →https://doi.org/10.1016/j.ejmech.2015.03.040openalex-snapshot
Multi-target tacrine-coumarin hybrids: Cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease
inferredcites →https://doi.org/10.1016/j.ejmech.2016.03.081openalex-snapshot
( E )-3-Heteroarylidenechroman-4-ones as potent and selective monoamine oxidase-B inhibitors
inferredcites →https://doi.org/10.1016/j.ejmech.2017.01.011openalex-snapshot
Crystal structures, binding interactions, and ADME evaluation of brain penetrant N -substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors
inferredcites →https://doi.org/10.1016/j.jmgm.2003.12.011openalex-snapshot
Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm
inferredcites →https://doi.org/10.1016/j.pharmthera.2014.02.010openalex-snapshot
Update on the pharmacology of selective inhibitors of MAO-A and MAO-B: Focus on modulation of CNS monoamine neurotransmitter release
inferredcites →https://doi.org/10.1016/s0009-2614(98)01128-2openalex-snapshot
AM1/TIP3P molecular dynamics simulation of imidazole proton-relay processes in aqueous solution
inferredcites →https://doi.org/10.1016/s0079-6123(08)61198-xopenalex-snapshot
Chapter 2 Radical thoughts about the life of MAO
inferredcites →https://doi.org/10.1016/s0197-4580(97)00037-7openalex-snapshot
Age-Related Increases in Brain Monoamine Oxidase B in Living Healthy Human Subjects
inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm030644sopenalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm031087copenalex-snapshot
Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N -Propargylaminoindan Class
inferredcites →https://doi.org/10.1021/jm051256oopenalex-snapshot
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/jm070677yopenalex-snapshot
Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs
inferredcites →https://doi.org/10.1021/tx010073bopenalex-snapshot
Interactions of Nitrogen-Containing Xenobiotics with Monoamine Oxidase (MAO) Isozymes A and B: SAR Studies on MAO Substrates and Inhibitors
inferredcites →https://doi.org/10.1038/nm.3639openalex-snapshot
GABA from reactive astrocytes impairs memory in mouse models of Alzheimer's disease
inferredcites →https://doi.org/10.1038/nrn1883openalex-snapshot
The therapeutic potential of monoamine oxidase inhibitors
inferredcites →https://doi.org/10.1038/nsb732openalex-snapshot
Structure of human monoamine oxidase B, a drug target for the treatment of neurological disorders
inferredcites →https://doi.org/10.1038/sj.bjp.0703826openalex-snapshot
Rasagiline [N‐propargyl‐1R(+)‐aminoindan], a selective and potent inhibitor of mitochondrial monoamine oxidase B
inferredcites →https://doi.org/10.1038/sj.bjp.0706464openalex-snapshot
Monoamine oxidase: isoforms and inhibitors in Parkinson's disease and depressive illness
inferredcites →https://doi.org/10.1063/1.449071openalex-snapshot
The Nose–Hoover thermostat
inferredcites →https://doi.org/10.1063/1.467468openalex-snapshot
Constant pressure molecular dynamics algorithms
inferredcites →https://doi.org/10.1073/pnas.0505975102openalex-snapshot
Three-dimensional structure of human monoamine oxidase A (MAO A): Relation to the structures of rat MAO A and human MAO B
inferredcites →https://doi.org/10.1073/pnas.0710626105openalex-snapshot
Structure of human monoamine oxidase A at 2.2-Å resolution: The control of opening the entry for substrates/inhibitors
inferredcites →https://doi.org/10.1073/pnas.85.13.4934openalex-snapshot
cDNA cloning of human liver monoamine oxidase A and B: molecular basis of differences in enzymatic properties.
inferredcites →https://doi.org/10.1074/jbc.272.22.14033openalex-snapshot
A Key Amino Acid Responsible for Substrate Selectivity of Monoamine Oxidase A and B
inferredcites →https://doi.org/10.1074/jbc.m006972200openalex-snapshot
Substrate and Inhibitor Specificities for Human Monoamine Oxidase A and B Are Influenced by a Single Amino Acid
inferredcites →https://doi.org/10.1074/jbc.m500949200openalex-snapshot
Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors
inferredcites →https://doi.org/10.1097/jcp.0b013e3181bb617openalex-snapshot
Half a Century of Antidepressant Drugs
inferredcites →https://doi.org/10.1111/j.1432-1033.1971.tb19689.xopenalex-snapshot
The Covalently‐Bound Flavin of Hepatic Monoamine Oxidase
inferredcites →https://doi.org/10.1111/j.1432-1033.1971.tb19690.xopenalex-snapshot
The Covalently‐Bound Flavin of Hepatic Monoamine Oxidase
inferredcites →https://doi.org/10.1111/j.1476-5381.2011.01426.xopenalex-snapshot
Animal models of Parkinson's disease: a source of novel treatments and clues to the cause of the disease
inferredcites →https://doi.org/10.1111/j.1742-4658.2011.08386.xopenalex-snapshot
The ‘gating’ residues Ile199 and Tyr326 in human monoamine oxidase B function in substrate and inhibitor recognition
inferredcites →https://doi.org/10.1111/j.1747-0285.2005.00327.xopenalex-snapshot
Use of an Induced Fit Receptor Structure in Virtual Screening
inferredcites →https://doi.org/10.1146/annurev.neuro.22.1.197openalex-snapshot
MONOAMINE OXIDASE: From Genes to Behavior
inferredcites →https://doi.org/10.2165/00002512-200522090-00002openalex-snapshot
Alternatives to Levodopa in the Initial??Treatment of Early Parkinson???s Disease
inferredcites →https://doi.org/10.2174/1381612822666160513144853openalex-snapshot
Structure- and Ligand-Based Approaches to Evaluate Aporphynic Alkaloids from Annonaceae as Multi-Target Agent Against Leishmania donovani

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4636655openalex-extracted
Probing the MAO Enzymes with a Novel Family of Quaternary Propargylamine Derivatives
inferred← citeshttps://doi.org/10.1002/adts.202502222openalex-snapshot
Machine Learning Assisted Exploration of Natural Monoamine Oxidase‐B Inhibitors Through Molecular Docking, Structural Dynamics and Pharmacokinetic Evaluation
inferred← citeshttps://doi.org/10.1002/med.21561openalex-snapshot
Monoamine oxidase‐B inhibitors as potential neurotherapeutic agents: An overview and update
inferred← citeshttps://doi.org/10.1002/minf.202100062openalex-snapshot
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS‐CoV‐2: A Combinedin silicoandin vitroStudy
inferred← citeshttps://doi.org/10.1007/978-1-0716-2643-6_17openalex-snapshot
Computational Chemistry and Molecular Modeling of Reversible MAO Inhibitors
inferred← citeshttps://doi.org/10.1007/978-1-0716-3311-3_11openalex-snapshot
Computational Modeling of MAO Inhibitors as Anti-Alzheimer Agents
inferred← citeshttps://doi.org/10.1007/978-3-030-62226-8_20openalex-snapshot
An in Silico Study of Natural Compounds as Potential MAO-B Inhibitors for the Treatment of Parkinson’s Disease
inferred← citeshttps://doi.org/10.1007/978-3-030-70542-8_15openalex-snapshot
Drug Design and Discovery: Theory, Applications, Open Issues and Challenges
inferred← citeshttps://doi.org/10.1007/978-3-031-07622-0_14openalex-snapshot
In Silico Drug Design and in Vivo Acute Toxicity Assay of Chalcone Analogs with Biological Antiparkinsonian Activity
inferred← citeshttps://doi.org/10.1007/978-981-15-6815-2_4openalex-snapshot
Role of ADMET Tools in Current Scenario: Application and Limitations
inferred← citeshttps://doi.org/10.1007/s11030-019-09917-8openalex-snapshot
Synthesis and evaluation of chromone derivatives as inhibitors of monoamine oxidase
inferred← citeshttps://doi.org/10.1007/s11696-022-02496-3openalex-snapshot
In silico unraveling of molecular anti-neurodegenerative profile of Citrus medica flavonoids against novel pharmaceutical targets
inferred← citeshttps://doi.org/10.1016/b978-0-443-36474-7.00019-3openalex-snapshot
Computational approaches in toxicity prediction: The role of quantitative structure–activity relationship (QSAR) in modern chemical risk assessment in the water ecosystems
inferred← citeshttps://doi.org/10.1016/j.aichem.2023.100012openalex-snapshot
Chemical space navigation by machine learning models for discovering selective MAO-B enzyme inhibitors for Parkinson’s disease
inferred← citeshttps://doi.org/10.1016/j.biopha.2022.113235openalex-snapshot
Anxiolytic, anti-nociceptive and body weight reducing effects of L-lysine in rats: Relationship with brain serotonin an In-Vivo and In-Silico study
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2025.142602openalex-snapshot
Employing steered MD simulations for effective virtual screening: Active pharmacophore search by dynamic corrections to target MKK3-MYC interactions
inferred← citeshttps://doi.org/10.1016/j.jep.2019.112305openalex-snapshot
New role for crinamine as a potent, safe and selective inhibitor of human monoamine oxidase B: In vitro and in silico pharmacology and modeling
inferred← citeshttps://doi.org/10.1021/acs.biochem.9b00213openalex-snapshot
Exposing the Interplay Between Enzyme Turnover, Protein Dynamics, and the Membrane Environment in Monoamine Oxidase B
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00169openalex-snapshot
Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01083openalex-snapshot
Design, Synthesis, and Molecular Modeling Studies of Novel Coumarin Carboxamide Derivatives as eEF-2K Inhibitors
inferred← citeshttps://doi.org/10.1021/acschemneuro.1c00430openalex-snapshot
Identification of a Chlorogenic Ester as a Monoamine Oxidase (MAO-B) Inhibitor by Integrating “Traditional and Machine Learning” Virtual Screening and In Vitro as well as In Vivo Validation: A Lead against Neurodegenerative Disorders?
inferred← citeshttps://doi.org/10.1021/acschemneuro.4c00055openalex-snapshot
Practical Three-Component Regioselective Synthesis of Drug-Like 3-Aryl(or heteroaryl)-5,6-dihydrobenzo[h]cinnolines as Potential Non-Covalent Multi-Targeting Inhibitors To Combat Neurodegenerative Diseases
inferred← citeshttps://doi.org/10.1021/acsomega.3c06074openalex-snapshot
Utilizing Heteroatom Types and Numbers from Extensive Ligand Libraries to Develop Novel hERG Blocker QSAR Models Using Machine Learning-Based Classifiers
inferred← citeshttps://doi.org/10.1021/acsptsci.1c00030openalex-snapshot
Target-Driven Design of a Coumarinyl Chalcone Scaffold Based Novel EF2 Kinase Inhibitor Suppresses Breast Cancer Growth In Vivo
inferred← citeshttps://doi.org/10.1039/c9nj03353jopenalex-snapshot
In silico study of 3-hydroxypyrimidine-2,4-diones as inhibitors of HIV RT-associated RNase H using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore models
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3979440/v1openalex-snapshot
Quantum-level machine learning calculations to predict the PES of Selegiline
inferred← citeshttps://doi.org/10.2174/1386207323666200324173231openalex-snapshot
Quantitative Structure-Activity Relationship (QSAR) Studies for the Inhibition of MAOs
inferred← citeshttps://doi.org/10.26434/chemrxiv.12032712.v1openalex-snapshot
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of COVID-19 Main Protease: A Virtual Drug Repurposing Study
inferred← citeshttps://doi.org/10.26434/chemrxiv.12032712.v2openalex-snapshot
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study
inferred← citeshttps://doi.org/10.3389/fchem.2020.00167openalex-snapshot
Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer Assay to Identify Novel Hit Compounds Against BCL-2
inferred← citeshttps://doi.org/10.3390/molecules24214003openalex-snapshot
Novel C7-Substituted Coumarins as Selective Monoamine Oxidase Inhibitors: Discovery, Synthesis and Theoretical Simulation
inferred← citeshttps://doi.org/10.3390/molecules26082193openalex-snapshot
Recent Developments in New Therapeutic Agents against Alzheimer and Parkinson Diseases: In-Silico Approaches
inferred← citeshttps://doi.org/10.3390/molecules29112486openalex-snapshot
Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed
inferred← citeshttps://doi.org/10.3906/biy-2005-112openalex-snapshot
Virtual drug repurposing study against SARS-CoV-2 TMPRSS2 target
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.