Medicinal Chemistry Research

, Volume 21, Issue 8, pp 1677–1683

Molecular docking studies of potent inhibitors of tyrosinase and α-glucosidase

  • Syed Sikander Azam
  • Reaz Uddin
  • Adnan Ali Shah Syed
  • Zaheer-ul-Haq
Original Research

DOI: 10.1007/s00044-011-9684-3

Cite this article as:
Azam, S.S., Uddin, R., Syed, A.A.S. et al. Med Chem Res (2012) 21: 1677. doi:10.1007/s00044-011-9684-3

Abstract

Copper containing tyrosinase enzyme is responsible for melanin biosynthesis in human. Anomalous growth of this enzyme causes hyper-pigmentation related disorders. Melanoma-specific anticarcinogenic activity has also been associated with this enzyme. Recently reported metabolites of tibolone exhibited significant inhibitory activities against both tyrosinase and α-glucosidase enzymes. Molecular docking studies of these enzymes with those metabolites have been the focus of this study. It is comprehensively studied that the inhibition of α-glucosidase is crucial for glycemic control. The active site similarity between tyrosinase and α-glucosidase has also been observed. GOLD is utilized to investigate the conformation and binding affinities of newly discovered inhibitors. In both enzymes, metal ions seem to play an important role in establishing the interaction within the cavity of active sites. Results obtained by recent study are not only consistent with the experimental findings but also provide a deeper insight into the structural attributes and overall molecular interactions.

Keywords

Alpha-glucosidaseBinding sitesInhibitorsLigand interactionMolecular dockingTyrosinase

Copyright information

© Springer Science+Business Media, LLC 2011

Authors and Affiliations

  • Syed Sikander Azam
    • 1
  • Reaz Uddin
    • 2
  • Adnan Ali Shah Syed
    • 3
  • Zaheer-ul-Haq
    • 2
  1. 1.Department of Biotechnology and BioinformaticsQuaid-i-Azam UniversityIslamabadPakistan
  2. 2.Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological SciencesUniversity of KarachiKarachiPakistan
  3. 3.Research Institute of Natural Products for Drug Discovery (RiND), Faculty of PharmacyUniversiti Teknologi MARA (UiTM), Puncak Alam CampusBandar Puncak Alam, Selangor Darul EhsanMalaysia