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Research and Reviews : A Journal of Immunology Original Research

Modulating Immune System of Mosquitoes with A Novel Salicylate Derivative: A Bioinformatics-Based Study

  1. Prakash Vaithyanathan D3 Drug Tech Lab Private Limited, Majithbstreet, Dharmapuri

Abstract

The present study aims to compare the interactions of a novel derivative of salicylic acid, 5-(2-nitroethynl) salicylic acid (5-SANA, salicylic acid nitroalkene), and salicylic acid with the critical residues of mosquito’s juvenile hormone binding protein (mJHBP). Given the better water solubility of 5-SANA and salicylic acid, it is believed that they can interact quicker than the natural substrate, juvenile hormone (JH), with the cavity of mJHBP, a circulating protein in mosquito’s haemolymph. Prior research has shown that a knockout of mJHBP weakens the immune responses of mosquitoes against infections. The study aims to demonstrate the unique binding capability of 5-SANA with the mJHBP protein using computational methods, namely, the molecular docking followed by molecular dynamics simulations. The results revealed that 5-SANA molecule interacts with the key amino acid Tyr 129 of mJHBP, just like the JH molecule, and stabilizes the ligand-enzyme complex. The H-bond interaction of 5-SANA with Tyr 129 was maximally stable (99%) during the 100-nanosecond molecular dynamics simulation and thereby may prevent JH from binding. On the contrary, pure salicylic acid didn't exhibit H-bond interaction with Tyr 129 for the entire interval. It is also known that mJHBP protein plays a role in the gonotropic cycle of mosquitoes. This gives the hope that water-soluble 5-SANA may prove to be a birth control pill for preventing the proliferation of mosquitoes besides rendering the antibacterial defence defective during the developmental stages and affect the mechanisms underlying haematopoiesis and so lays the ground for further studies leading to the alleviation of suffering of mankind.

Keywords

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