ICT2025 - lUTOX 17th International Congress of Toxicology

Date	Time	Local Time	Room	Forum	Session	Role	Topic
2025-10-17	18:00-18:10	2025-10-17,18:00-18:10	Room A - Guojin Hall	Symposium Program （Session）	Young Scientist Lecture 04：Environmental Toxicology and Molecular Toxicology	Speaker	Cross-species molecular docking approaches to predict the susceptibility of plastic additives in endangered species This study examines how endangered Korean loggerhead (Caretta caretta) and green sea turtles (Chelonia mydas) may be affected by chemical additives in plastics using cross-species comparison methods. Given the restrictions on conducting direct tests on protected wildlife, we utilized computational approach that combines protein sequence conservation analysis with molecular modeling to assess how these marine species might respond to endocrine-disrupting chemicals found in plastic debris. Our analysis using the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool demonstrated remarkable conservation of androgen (AR) and estrogen receptors (ER) between humans and sea turtles, with over 90% similarity in ligand-binding domains and identical critical binding residues [1]. We then employed AlphaFold 3 to construct detailed three-dimensional receptor models for both turtle species, allowing us to simulate interactions with 150 different plastic additives [2].

This study examines how endangered Korean loggerhead (Caretta caretta) and green sea turtles (Chelonia mydas) may be affected by chemical additives in plastics using cross-species comparison methods. Given the restrictions on conducting direct tests on protected wildlife, we utilized computational approach that combines protein sequence conservation analysis with molecular modeling to assess how these marine species might respond to endocrine-disrupting chemicals found in plastic debris.

Our analysis using the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool demonstrated remarkable conservation of androgen (AR) and estrogen receptors (ER) between humans and sea turtles, with over 90% similarity in ligand-binding domains and identical critical binding residues [1]. We then employed AlphaFold 3 to construct detailed three-dimensional receptor models for both turtle species, allowing us to simulate interactions with 150 different plastic additives [2].