(103) Machine learning driven web-based app platform for the designing of monoamine oxidase B inhibitors
Introduction: Monoamine oxidases (MAOs), mitochondrial enzymes, degrade neurotransmitters like serotonin, dopamine, and tyramine. MAO-A prefers hydroxylated amines, while MAO-B targets non-hydroxylated ones, though dopamine and tyramine bind similarly to both [1]. Overexpression of MAOs leads to neurodegenerative diseases like Parkinson's. MAO inhibitors (like selegiline, rasagiline) mitigate these effects but face specificity and safety challenges. Our study develops AI machine learning (ML) based QSAR models to predict MAO-B inhibitors and optimize Parkinson's treatment [2].
Learning Objectives:
Upon completion, participants will be able to list key molecular features for MAO-B inhibition
Upon completion, participants will be able to describe the application of AI ML-QSAR models
Upon completion, participants will be able to conduct MAO-B inhibitors using AI models
