AIMC Topic: Monoamine Oxidase

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Target Fisher: A Consensus Structure-Based Target Prediction Tool, and its Application in the Discovery of Selective MAO-B Inhibitors.

Chemistry (Weinheim an der Bergstrasse, Germany) Nov 14, 2024
In this work we introduce Target Fisher, a consensus structure-based target prediction tool that integrates molecular docking and machine learning with the aim to aid in the identification of potential biological targets and the optimization of the u...
Humans Machine Learning Molecular Docking Simulation Drug Discovery Biological Products Monoamine Oxidase Monoamine Oxidase Inhibitors
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Deep convolutional neural network-based identification and biological evaluation of MAO-B inhibitors.

International journal of biological macromolecules Oct 9, 2024
Parkinson's disease (PD) is one of the most prominent motor disorder of adult-onset dementia connected to memory and other cognitive abilities. Individuals with this vicious neurodegenerative condition tend to have an elevated expression of Monoamine...
Humans Neural Networks, Computer Molecular Docking Simulation Deep Learning Monoamine Oxidase Monoamine Oxidase Inhibitors
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Multi-Adaptive Optimization for multi-task learning with deep neural networks.

Neural networks : the official journal of the International Neural Network Society Nov 19, 2023
Multi-task learning is a promising paradigm to leverage task interrelations during the training of deep neural networks. A key challenge in the training of multi-task networks is to adequately balance the complementary supervisory signals of multiple...
Neural Networks, Computer Machine Learning Monoamine Oxidase
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Simultaneously Detecting Monoamine Oxidase A and B in Disease Cell/Tissue Samples Using Paper-Based Devices.

ACS applied bio materials Nov 25, 2020
As enzymes in the outer membrane of the mitochondrion, monoamine oxidases (MAOs) can catalyze the oxidative deamination of monoamines in the human body. According to different substrates, MAOs can be divided into MAO-A and MAO-B. The imbalance of the...
Humans Neoplasms Cell Line Paper Equipment and Supplies Monoamine Oxidase
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Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study.

Bioorganic chemistry Nov 24, 2020
Subtype-selective drugs are of great therapeutic importance as they are expected to be more effective and with less side-effects. However, discovery of subtype selective inhibitors was hampered by the high similarity of the binding sites within subfa...
Humans Support Vector Machine Dose-Response Relationship, Drug Structure-Activity Relationship Molecular Structure Monoamine Oxidase Monoamine Oxidase Inhibitors
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Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics.

International journal of molecular sciences Oct 16, 2020
Monoamine oxidase B (MAOB) is expressed in the mitochondrial membrane and has a key role in degrading various neurologically active amines such as benzylamine, phenethylamine and dopamine with the help of Flavin adenine dinucleotide (FAD) cofactor. T...
Humans Machine Learning Molecular Docking Simulation Protein Binding Drug Development Monoamine Oxidase Antiparkinson Agents Monoamine Oxidase Inhibitors
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