ArticleInternational journal of molecular sciences2023
New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed, 21 citations in OpenAlex.
- Exploring the Neuropharmacological Potential of Ligustrum sinense Relevant to Parkinson's Disease: In Vivo and In Silico Study.Chemistry & biodiversity · 2026Article
- Exploring MAO inhibitory activity of 5-hydroxy regioisomers of hispidol's analogs leads to identification of novel highly selective MAO-B open-conformation inhibitors.Molecular diversity · 2026Article
- Bridging the gap in Alzheimer's therapy: strategic design and SAR evolution of coumarin-based hybrids as potent MTDLs.RSC advances · 2026Review
- Harnessing machine learning models to repurpose drugs targeting HIV-1 integrase, protease, and reverse transcriptase.Scientific reports · 2026Article
- Design, Synthesis, and Evaluation of Pyrrole-Based Selective MAO-B Inhibitors with Additional AChE Inhibitory and Neuroprotective Properties Identified via Virtual Screening.Pharmaceuticals (Basel, Switzerland) · 2025Article
- A Comprehensive Environmental and Molecular Strategy for the Evaluation of Fluroxypyr and Nature-Derived Compounds.International journal of molecular sciences · 2025Article
- Pelargonium graveolens Attenuates Rotenone-Induced Parkinson's Disease in a Rat Model: Role of MAO-B Inhibition and In Silico Study.Molecular neurobiology · 2025Article
- A Review on Phytochemical Constituents used as Current Treatment Strategies for Neurodegenerative Disease.Anti-inflammatory & anti-allergy agents in medicinal chemistry · 2025Review
- Article
- Targeting MAO-B with Small-Molecule Inhibitors: A Decade of Advances in Anticancer Research (2012-2024).Molecules (Basel, Switzerland) · 2024Review
- Novel Pyrrole Derivatives as Multi-Target Agents for the Treatment of Alzheimer's Disease: Microwave-Assisted Synthesis, In Silico Studies and Biological Evaluation.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Synthesis and Monoamine Oxidase Inhibitory Activity of Halogenated Flavones.ACS medicinal chemistry letters · 2024Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
To facilitate the identification of novel MAO-B inhibitors, we elaborated a consolidated computational approach, including a pharmacophoric atom-based 3D quantitative structure-activity relationship (QSAR) model, activity cliffs, fingerprint, and molecular docking analysis on a dataset of 126 molecules. An AAHR.2 hypothesis with two hydrogen bond acceptors (A), one hydrophobic (H), and one aromatic ring (R) supplied a statistically significant 3D QSAR model reflected by the parameters: R
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.