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    Computational Tool for Immunotoxic Assessment of Pyrethroids toward Adaptive Immune Cell Receptors

    Anoop Kumar1, Padma Charan Behera1, Naresh Kumar Rangra1, Suddhasattya Dey1, Kamal Kant1★★ Corresponding author

    1. 1Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, India.

    CORRESPONDENCE

    Kamal Kant

    Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, India.

    kamalkant46@yahoo.com

    Received: 17-02-2017; Revised: 08-03-2017.

    Volume 14, Issue 53 · pp. 124–128 · PUBLISHED 20 February 2018 · DOI: 10.4103/pm.pm_62_17

    View on Pharmacogn. Mag. original site ↗

    ABSTRACT

    Background: Pyrethroids have prominently known for their insecticidal actions worldwide, but recent reports as anticancer and antiviral applications gained a lot of interest to further understand their safety and immunotoxicity. Objective: This encouraged us to carry out our present study to evaluate the interactions of pyrethroids toward adaptive immune cell receptors. Materials and Methods: Type 1 and Type 2 pyrethroids were tested on T (CD4 and CD8) and B (CD28 and CD45) immune cell receptors using Maestro 9.3 (Schrödinger, LLC, Cambridge, USA). In addition, top‑ranked tested ligands were too explored for toxicity prediction in rodents using ProTOX tool. Results: Pyrethroids (specifically type 2) such as fenvalerate (−5.534 kcal/mol: CD8), fluvalinate (−4.644 and − 4.431 kcal/mol: CD4 and CD45), and cypermethrin (−3.535 kcal/mol: CD28) have outcome in less energy or more affinity for B‑cell and T‑cell immune receptors which may later result in the immunosuppressive and hypersensitivity reactions. Conclusion: The current findings have uncovered that there is a further need to assess the Type 2 pyrethroids with wet laboratory experiments to understand the chemical nature of pyrethroid‑induced immunotoxicity.

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      Kumar, A., Behera, P. C., Rangra, N. K., Dey, S., & Kant, K. (2018). Computational Tool for Immunotoxic Assessment of Pyrethroids toward Adaptive Immune Cell Receptors. Pharmacognosy Magazine, 14(53), 124–128. https://doi.org/10.4103/pm.pm_62_17