Extracellular Vesicles In Parasitoid Wasp Venom: Structural Insights Into Their Conserved And Species-Specific Proteins From In Silico Studies

Author

• Jorge Martinez Sardina, CUNY City CollegeFollow

Date of Award

2026

Document Type

Thesis

Department

Biology

First Advisor

Shubha Govind

Second Advisor

Ana Carnaval

Third Advisor

Shaneen M Singh

Keywords

Extracellular vesicles, venom, parasitoid wasps, metalloendopeptidases, scorpion toxins, bioinformatics

Abstract

Parasitoid wasps inject complex venoms into their insect hosts to ensure the survival of their offspring, yet the molecular composition and mode of action of these venoms remain poorly characterized compared to other venomous taxa. This study presents a sequence and structural bioinformatics characterization of select venom proteins and effectors identified in the proteomes of extracellular vesicle (EV)-associated venom fractions of the Drosophila parasitoids, Leptopilina heterotoma and Leptopilina boulardi. We analyzed several key protein families, including ATPases (F-type, V-type, and P-type), heat shock proteins (HSPs), novel scorpion toxin-like peptides, metalloendopeptidases (MEPs), and tissue inhibitors of metalloproteinases (TIMPs). Through extensive homology searching, multiple sequence alignment, and domain architecture analysis, we established the evolutionary conservation and divergence of these proteins relative to their homologs in humans, snakes, spiders, and insects. Three-dimensional structural modeling, electrostatic surface analysis, and molecular docking provided mechanistic insights into the potential ion channel-blocking activity of the novel scorpion toxin-like peptides and the substrate specificity of the MEPs through analysis of their distinct S1' pocket geometries. Our findings suggest that these venom components play multifaceted roles in EV biogenesis, host immune suppression, and tissue degradation, to favor parasitoid success. This systematic computational approach bridges the gap between uncharacterized venom sequences and their potential biological functions, laying the groundwork for future experimental validation and the discovery of novel immunomodulatory and pharmacological agents.

Recommended Citation

Martinez Sardina, Jorge, "Extracellular Vesicles In Parasitoid Wasp Venom: Structural Insights Into Their Conserved And Species-Specific Proteins From In Silico Studies" (2026). CUNY Academic Works.
https://academicworks.cuny.edu/cc_etds_theses/1331