Animal venoms comprise an astonishing number of peptides, proteins and small molecules. The diversity of venom compounds arises from evolutionary adaptations resulting in both offensive and defensive traits in predators and prey alike. This concept, referred to as “arms race”, underpins the specificity and selectivity of venom compounds for certain molecular targets, like ion channels. Ion channels are essential regulators of cellular processes, and their dysfunction facilitates a wide range of diseases. Venom peptides and their derivatives are powerful modulators of ion channel activity, with several already in clinical use as FDA-approved therapeutics. In this project, we use computational methods to study the fundamental question of how complex traits evolve, develop and function, using venom as our iconic model trait.

Student: Arezoo Bybordi

Collaborators: Prof. Mande Holford, Harvard University; Prof. Weining Qiu, Hunter College

Favour Achimba, Arezoo Bybordi, Mariam Gelashvili, Jessy Ramirez, Anita Raja, Weigang Qiu, Mande Holford “Molecular Arms Race Classifier for Decrypting Venom Peptide and Ion Channel Interactions“, ChemRxiv https://doi.org/10.26434/chemrxiv-2025-c31q0.