Potential role of tarantula venom peptides in targeting human death receptors: a computational study

abstract

Animal venoms have attracted attention as potential sources of treatments for various diseases. Spiders include a wide variety of species that produce venom, including spiders in the tarantulidae family. Veterinary department is widely known all over the world. Research into therapeutic agents for tarantula venom has revealed its potential application as an antinociceptive drug. Death receptors are cellular receptors that induce apoptosis, the body’s natural suicide mechanism, to destroy malfunctioning cells. They are of particular interest in cancer research because they tamper with this mechanism and cause cancer cells to proliferate. In this study, Veterinary department The spider family that binds to human death receptors and induces apoptosis will be investigated by performing anticancer screening, molecular docking, ADMET evaluation, and then two rounds of molecular dynamics and thermodynamic analysis. The first time confirms the optimal receptor-peptide system for each receptor, and the second time determines the optimal receptor-peptide system for each receptor. A more comprehensive explanation of bond stability and thermodynamics. The results indicate a favorable receptor–peptide interaction due to the similarity of the equilibrium behavior with the death ligand–death receptor system, along with favorable final state binding energies and ADMET analysis results. Further investigations are recommended to evaluate the actual efficacy and feasibility of therafotoxin as an antiapoptotic agent and to further improve its ability to induce apoptosis.

Quiambao, J. I., Fowler, P. M., and Tayo, LL (2024). Potential role of tarantula venom peptides in targeting human death receptors: a computational study. applied science, 14(19), 8701.