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3 Biotech

, 8:373 | Cite as

A molecular simulation analysis of vitamin D targets interleukin 13 (IL13) as an alternative to mometasone in asthma

  • Sriroopreddy Ramireddy
  • P. Raghuraman
  • Pradhyum Khandelwal
  • Jayanthi Abraham
  • C. Sudandiradoss
Original Article

Abstract

Asthma, a chronic lung disease characterized by obstruction of airway passage is characterized by inflammation and hyperresponsiveness with increase in the number of eosinophils. Interleukin-13, plays a significant role in causing inflammation during an asthmatic attack by bronchial constriction. Mometasone, a glucocorticoid has been used as the first line of administration for people affected with asthma for almost a decade. However, in several cases, people treated with mometasone have faced systemic and local side effects. To reduce these side effects, we hypothesized vitamin D that can be used as a substitute to mometasone. For this purpose, we employed the use of molecular docking and simulation studies for comparative study. The docking studies revealed the binding residues of interleukin-13 which are bound to the active site. Among all, we noticed three binding residue Leu83, His84 and Arg86 common for both mometasone and vitamin D. Also, the binding energies share a significant similarity between them. The docked complexes of mometasone and vitamin D with interleukin-13 were evaluated with molecular dynamics simulation. Consistently, the MD analysis uncovered the interesting note on conformational adaptation between the complexes as well as that vitamin D has the complementary binding efficiency to interleukin-13 as compared to mometasone. The substitution of vitamin D might provide a promising gateway to reduce the side effects caused by mometasone and also reduce the cost for treatment of asthma patients.

Keywords

Asthma Vitamin D Mometasone IL13 Docking Molecular dynamics 

Notes

Acknowledgements

The authors gratefully acknowledge VIT University, Vellore for the support through Seed Grant for this research work.

Compliance with ethical standards

Conflict of interest

The authors declare that there is no conflict of interests regarding the publication of this paper.

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  • Sriroopreddy Ramireddy
    • 1
  • P. Raghuraman
    • 1
  • Pradhyum Khandelwal
    • 1
  • Jayanthi Abraham
    • 2
  • C. Sudandiradoss
    • 1
  1. 1.Department of Biotechnology, School of Biosciences and TechnologyVellore Institute of TechnologyVelloreIndia
  2. 2.Microbial Biotechnology Laboratory, School of Biosciences and TechnologyVellore Institute of TechnologyVelloreIndia

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