An Integrative Approach to Identifying Neuroprotective Natural Compounds for Neurodevelopmental Disorders.

ABSTRACT: Neurodevelopmental disorders (NDDs) represent significant public health challenges due to their multifactorial etiology and clinical heterogeneity. Current treatments remain limited, highlighting the need for novel therapeutic strategies. This study aimed to identify neuroprotective natural compounds targeting NDD-associated pathways and describe an integrative computational pipeline combining in silico screening, network pharmacology, and molecular docking approaches to accelerate NDD drug discovery. An integrative computational pipeline was developed through sequential phases: (1) systematic screening of the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP) for natural compounds meeting drug-likeness criteria and toxicity thresholds; (2) biological activity prediction; (

SUBMITTER: Souza JADCR 

PROVIDER: S-EPMC12470177 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature