Biological and molecular docking studies on coagulin-H: Human IL-2 novel natural inhibitor

Osman Mesaik Mohammed Ahmed Hassan, Zaheer-Ul-Haq, Shahnaz Murad, Zakiah Ismail, Noor Rain Abdullah, H. Kauar Gill, Atta-Ur-Rahman, Muhammad Yousaf, R. Ali Siddiqui, Aqeel Ahmad, M. Iqbal Choudhary

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

Withanolide, coagulin-H (1), was evaluated for its effect on various cellular functions related to immune response including lymphocyte proliferation, and expression of interleukin-2 (IL-2) cytokine, and results were compared with prednisolone (2), a commonly used immune modulating drug. Coagulin-H (1) was found to have a powerful inhibitory effect on lymphocyte proliferation and Th-1 cytokine production. Inhibition of the phytohaemagglutinin (PHA)-activated T-cell proliferation by coagulin-H (1) was observed in a concentration dependant manner. A complete suppression of PHA-activated T-cell was observed at ≥2.5 μg/mL concentrations of compound (1) and this suppression activity was similar to that of prednisolone (2). Coagulin-H (1) also significantly inhibited IL-2 production by 80%. The interactions of coagulin-H (1) (a natural inhibitor) and prednisolone (2) (a drug) to IL-2 were also investigated in order to understand the differences in their effects on T-cell responses. This paper also describes the results of molecular docking study on IL-2 inhibition. Docking studies predicted that coagulin-H (1) binds to receptor binding site of IL-2 more effectively than prednisolone (2). Based on the computational and the experimental results, coagulin-H (1) was identified as a potential immunosuppressive candidate.

Original languageEnglish
Pages (from-to)1855-1863
Number of pages9
JournalMolecular Immunology
Volume43
Issue number11
DOIs
Publication statusPublished - Apr 2006
Externally publishedYes

Fingerprint

Thromboplastin
Interleukin-2
Prednisolone
Phytohemagglutinins
T-Lymphocytes
Withanolides
Lymphocytes
Cytokines
Immunosuppressive Agents
Pharmaceutical Preparations
Binding Sites
Cell Proliferation

Keywords

  • Coagulin-H
  • IL-2R
  • Immunosuppression
  • Interleukin 2
  • Withania coagulans
  • Withanolide

ASJC Scopus subject areas

  • Molecular Biology
  • Immunology

Cite this

Mohammed Ahmed Hassan, O. M., Zaheer-Ul-Haq, Murad, S., Ismail, Z., Abdullah, N. R., Gill, H. K., ... Choudhary, M. I. (2006). Biological and molecular docking studies on coagulin-H: Human IL-2 novel natural inhibitor. Molecular Immunology, 43(11), 1855-1863. https://doi.org/10.1016/j.molimm.2005.10.020

Biological and molecular docking studies on coagulin-H : Human IL-2 novel natural inhibitor. / Mohammed Ahmed Hassan, Osman Mesaik; Zaheer-Ul-Haq; Murad, Shahnaz; Ismail, Zakiah; Abdullah, Noor Rain; Gill, H. Kauar; Atta-Ur-Rahman; Yousaf, Muhammad; Siddiqui, R. Ali; Ahmad, Aqeel; Choudhary, M. Iqbal.

In: Molecular Immunology, Vol. 43, No. 11, 04.2006, p. 1855-1863.

Research output: Contribution to journalArticle

Mohammed Ahmed Hassan, OM, Zaheer-Ul-Haq, Murad, S, Ismail, Z, Abdullah, NR, Gill, HK, Atta-Ur-Rahman, Yousaf, M, Siddiqui, RA, Ahmad, A & Choudhary, MI 2006, 'Biological and molecular docking studies on coagulin-H: Human IL-2 novel natural inhibitor', Molecular Immunology, vol. 43, no. 11, pp. 1855-1863. https://doi.org/10.1016/j.molimm.2005.10.020
Mohammed Ahmed Hassan OM, Zaheer-Ul-Haq, Murad S, Ismail Z, Abdullah NR, Gill HK et al. Biological and molecular docking studies on coagulin-H: Human IL-2 novel natural inhibitor. Molecular Immunology. 2006 Apr;43(11):1855-1863. https://doi.org/10.1016/j.molimm.2005.10.020
Mohammed Ahmed Hassan, Osman Mesaik ; Zaheer-Ul-Haq ; Murad, Shahnaz ; Ismail, Zakiah ; Abdullah, Noor Rain ; Gill, H. Kauar ; Atta-Ur-Rahman ; Yousaf, Muhammad ; Siddiqui, R. Ali ; Ahmad, Aqeel ; Choudhary, M. Iqbal. / Biological and molecular docking studies on coagulin-H : Human IL-2 novel natural inhibitor. In: Molecular Immunology. 2006 ; Vol. 43, No. 11. pp. 1855-1863.
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