Conotoxins: Classification, Prediction, and Future Directions in Bioinformatics.

Abstract

Conotoxins, a diverse family of disulfide-rich peptides derived from the venom of Conus species, have gained prominence in biomedical research due to their highly specific interactions with ion channels, receptors, and neurotransmitter systems. Their pharmacological properties make them valuable molecular tools and promising candidates for therapeutic development. However, traditional conotoxin classification and functional characterization remain labor-intensive, necessitating the increasing adoption of computational approaches. In particular, machine learning (ML) techniques have facilitated advancements in sequence-based classification, functional prediction, and de novo peptide design. This review explores recent progress in applying ML and deep learning (DL) to conotoxin research, comparing key databases, feature extraction techniques, and classification models. Additionally, we discuss future research directions, emphasizing the integration of multimodal data and the refinement of predictive frameworks to enhance therapeutic discovery.