Semantic-Aware Graph Embedding Approach Uncovers LC-61, a Potent Anti-Leishmania infantum Compound
Vinícius Alexandre Fiaia Costa, Alexandra Maria dos Santos Carvalho, Rafael Consolin Chelucci, Felipe da Silva Mendonça de Melo, Gustavo Santos Sandes Felizardo, Clarissa Alves Carneiro Bernardes, Holli‐Joi Martin, Rodolpho C. Braga, Sébastien Olivier Charneau, Eugene N. Muratov, Adriano Defini Andricopulo, Izabela Marques Dourado Bastos, Bruno Junior Neves
The paper introduces a semantic-aware graph neural network framework for drug discovery, identifying LC-61 as a potent antileishmanial compound with nanomolar activity.
bioRxiv · Nov 19, 2025 · PreprintBioinformatics