Sex Role–Dependent Behavioral and Architectural Divergence in a Jumping Spider

  Sex Role–Dependent Behavioral and Architectural Divergence in a Jumping Spider ABSTRACT Sex differences in behavior and functional traits are often attributed to differences in mating effort intensity, but the role of sex-specific parental demands remains poorly understood. Using the jumping spider Toxeus maxillosus —where males engage in mate searching and courtship without providing parental care, while females provide extended maternal care from egg attendance to offspring maturity (around 3 months)—we conducted an exploratory investigation into whether these distinct selective pressures led to divergence in spatial behaviors and nest architecture. Results revealed that males and females showed equivalent accuracy, latency, and learning-related performance in both a route-planning test under water stress and a color-pattern associative memory task. In contrast, during nest-construction assays, females built complex, multi-entrance structures that closely matched the container'...

Computational discovery to reveal molecular interactions of phytochemicals with deadly snake venoms as potential therapeutic candidate for snakebite treatment

 


Computational discovery to reveal molecular interactions of phytochemicals with deadly snake venoms as potential therapeutic candidate for snakebite treatment

Abstract

Snake envenomation remains a major health threat, particularly in rural regions. This study investigates five ethnomedicinal plants Andrographis paniculata, Aristolochia spp., Hemidesmus indicus, Perilla frutescens, and Tabernaemontana catharinensis traditionally used for snakebite treatment in northern Chhattisgarh. Key bioactive compounds, including andrographolide, aristolochic acid, lupeol acetate, rosmarinic acid, and 4-methoxysalicylic acid, and five known compounds 12-methoxy-4 methylvoachalotine, anisic acid, salicylic acid, 1-hydroxytetra triacontan-4-one, and pinostrobin, were evaluated for their interactions with venom protein families PLA2, 3FTx, and KUN using molecular docking via AutoDock Vina. Lupeol acetate exhibited the strongest binding affinity across multiple venom proteins, while 4-methoxysalicylic acid effectively targeted three key domains in the 1VIP protein. Molecular dynamics simulations confirmed the stability of the top protein–ligand complexes. All compounds, except 1-hydroxytetratriacontan-4-one, met Lipinski’s and ADMET criteria, indicating favorable drug-like properties. These findings highlight the potential of plant-derived phytochemicals, particularly 4-methoxysalicylic acid, as therapeutic candidates for snakebite treatment. Further experimental validation is recommended to explore their potential as plant-based antidotes.

Das, O.K., Hial, A.K., Aneshwari, R.K. et al. Computational discovery to reveal molecular interactions of phytochemicals with deadly snake venoms as potential therapeutic candidate for snakebite treatment. In Silico Pharmacol. 13, 200 (2025). https://doi.org/10.1007/s40203-025-00488-1