Molecular Recognition and Immunopharmacological Implications of Serratiopeptidase Targeting Snake Venom Bradykinin-Potentiating Peptides

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  Molecular Recognition and Immunopharmacological Implications of Serratiopeptidase Targeting Snake Venom Bradykinin-Potentiating Peptides Abstract Purpose Bradykinin-potentiating peptides (BPPs), found in snake venom, are known to modulate cardiovascular functions, but their susceptibility to enzymatic degradation remains poorly understood. Methods Models were generated using AlphaFold-Colab for five small BPPs (< 9 amino acids) that did not have experimentally solved structures, and those BPPs which had reliable predictions of structure (pLDDT > 80) were used for docking studies. Protein-peptide docking experiments were done using HADDOCK for studying the interaction between wild-type (WT) and mutant serratiopeptidase with BPPs. After selecting the best complex, simulation of the complex was done using molecular dynamics (MD) simulations for 100 ns and binding energy determination using MM/PBSA analysis. For checking the mechanical stability of the protein-peptide complexes...

Simulating a hybridization event of a range-expanding sexual cannibal (Argiope bruennichi)

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Simulating a hybridization event of a range-expanding sexual cannibal (Argiope bruennichi)

Abstract

Hybridization plays an important role in animal speciation. Mediterranean populations of the Palaearctic wasp spider Argiope bruennichi have recently undergone a range expansion northwards. Adaptation to colder winters was facilitated by introgressed alleles derived from Asian populations, hence the resulting hybrids were able to expand geographically. Argiope bruennichi exhibits a highly complex mating system that includes strong sexual conflict and predisposes the species to behaviours that could facilitate directed hybridization and hybrid stabilization. To test this, we simulated a hybridization event with European and Asian spiders and a backcrossing event with southern and northern European spiders by conducting mate choice experiments and mating trials. We found pronounced differences in the cannibalism and monopolization successes between the populations. Asian male spiders were more successful in monopolizing European females than their European conspecifics and more successful than European males with Asian females. This would have led to an increased proportion of these specific offspring in the hybrid population. Our results suggest the mating system as a driving factor in the directional hybridization of Asian males and European females and the establishment of new northern European populations of A. bruennichi. We found no influences of the mating system on the stabilization of the resulting hybrid populations, probably owing to cold survival adaptations being a more important factor.


Sebastian Franke, Jutta M Schneider, Simulating a hybridization event of a range-expanding sexual cannibal (Argiope bruennichi), Biological Journal of the Linnean Society, 2024;, blae018, https://doi.org/10.1093/biolinnean/blae018