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Preliminary insight into recognizing of mannose toward LSMT Protein: Molecular docking and DFT Study

Author

Listed:
  • Aswin Abbas

    (Engineering Physics, Institut Teknologi Bandung, Bandung, Indonesia)

  • Mohammad K Agusta

    (Engineering Physics, Institut Teknologi Bandung, Bandung, Indonesia)

  • Hermawan K Dipojono

    (Engineering Physics, Institut Teknologi Bandung, Bandung, Indonesia)

  • Adhitya Gadaryus Saputro

    (Engineering Physics, Institut Teknologi Bandung, Bandung, Indonesia)

  • Heni Rachmawat

    (School of Pharmacy, Institut Teknologi Bandung, Bandung, Indonesia)

  • Wangsa T. Ismaya

    (Dexa laboratories of Biomolecular Sciences, Dexa Medica, Bekasi Regency, Indonesia)

Abstract

A novel protein like-lectin Light Subunit Mushroom Tyrosinase (LSMT) was discovered inadvertently during elucidation of the button mushroom Agaricus bisporus tyrosinase structure. The present study is focused on investigation of interaction between Mannose and LSMT using molecular docking and Density Functional Theory (DFT). The molecular docking result revealed three possible positions, of which the first resembles the sugar-binding region in the structures of its homolog (HA-33 or CNL) and second is located in the interface region to the tyrosinase subunit. Another position is a new finding region that includes interaction with five amino acid residues. The molecule complex was modeled by truncation of five selected residues then the atom of peptide chain freezed. In the final study, the interaction energy was analyzed using DFT showed that Threonine 91 (Thr91) has the highest role of interaction between ligand and protein.

Suggested Citation

  • Aswin Abbas & Mohammad K Agusta & Hermawan K Dipojono & Adhitya Gadaryus Saputro & Heni Rachmawat & Wangsa T. Ismaya, 2018. "Preliminary insight into recognizing of mannose toward LSMT Protein: Molecular docking and DFT Study," Journal of Applied and Physical Sciences, Prof. Vakhrushev Alexander, vol. 4(3), pages 95-100.
    • Handle: RePEc:apb:japsss:2018:p:95-100
    DOI: 10.20474/japs-4.3.3
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    References listed on IDEAS

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    1. B. Satheesh Kumar Bhandary & Sharmila K. P. & Suchetha Kumari N. & Vadisha S. Bhat & Ganesh Sanjeev, 2015. "Radioprotective Potential of Punica Granatum Extract and Synthetic Ellagic Acid: A Biochemical and Hematological Study in Mice," International Journal of Applied and Physical Sciences, Dr K.Vivehananthan, vol. 1(3), pages 51-54.
    2. Noraini Mahmad & Rosna Mat Taha & Norlina Rawi & Sadegh Mohajer, 2015. "The effects of picloram and 2,4-dichlorophenoxyacetic acid on induction of red coloured callus from celosia plumosa, an attractive ornamental plant," Journal of Applied and Physical Sciences, Prof. Vakhrushev Alexander, vol. 1(1), pages 9-12.
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