The gut microbiome produces thousands of metabolites with potential to modulate central nervous system function through peripheral or direct neural mechanisms. Tourette syndrome, attention-deficit/hyperactivity disorder, and autism spectrum disorder exhibit shared neurotransmitter dysregulation and microbiome alterations, yet mechanistic links between microbial metabolites and receptor-mediated neuromodulation remain unclear. We screened 27,642 microbiome SMILES metabolites for blood–brain barrier permeability using rule-based SwissADME classification and a PyTorch 2.0 neural network trained on 7807 experimental compounds (test accuracy 86.2%, AUC 0.912). SwissADME identified 1696 BBB-crossing metabolites following Lipinski’s criteria, while PyTorch classified 2484 metabolites with expanded physicochemical diversity. Following 3D conformational optimization (from SMILES) and curation based on ≤32 rotatable bonds, molecular docking was performed against five neurotransmitter receptors representing ionotropic (GABRA2, GRIA2, GRIN2B) and metabotropic (DRD4, HTR1A) receptor classes. The top 50 ligands across five receptors demonstrated method-specific BBB classification (44% SwissADME-only, 44% PyTorch-only, 12% overlap), validating complementary prediction approaches. Fungal metabolites from Ascomycota dominated high-affinity top ligands (66%) and menaquinone MK-7 showed broad phylogenetic conservation (71.4% of phylum). Our results establish detailed receptor–metabolite interaction maps, with fungal metabolites dominating high-affinity ligands, challenging the prevailing bacterial focus of the microbiome and providing a foundation for precision medicine and a framework for developing microbiome-targeted therapeutics to address clinical needs in neurodevelopmental disorders.

El objetivo del estudio fue determinar los parámetros adecuados para la elaboración artesanal de totopos de maíz adicionados con nopal, en función del método de elaboración, que define el rendimiento del proceso. Se empleó masa de maíz nixtamalizado mezclada con nopal fresco molido, sin necesidad de añadir agua adicional debido al contenido de humedad del nopal. Además, se realizó una evaluación sensorial con 100 panelistas no entrenados, utilizando una escala hedónica de siete puntos, obteniendo una puntuación promedio de 5, lo que indica una aceptación ligera del producto. Los resultados sugieren que la incorporación de nopal en los totopos puede aumentar su contenido de fibra sin afectar negativamente su preparación, representando una alternativa funcional y viable para el desarrollo de botanas más saludables.