HOMOLOGY MODELING AND MOLECULAR DOCKING ANALYSIS OF HUMAN RAC-ALPHA SERINE/THREONINE PROTEIN KINASE

Authors

  • MALIK MOHAMMED ADIL MUSTUFA Department of Biotechnology, Faculty of Science, Hamdard University (Jamia Hamdard), New Delhi – 110 062, INDIA.
  • SHUBHRA CHANDRA Department of Biotechnology, Faculty of Science, Hamdard University (Jamia Hamdard), New Delhi – 110 062, INDIA.
  • SAIMA WAJID Department of Biotechnology, Faculty of Science, Hamdard University (Jamia Hamdard), New Delhi – 110 062, INDIA.

Keywords:

Akt-1; Bexarotene; Hesperidin; Molecular docking; Homology modeling; Cancer

Abstract

RAC-alpha serine/threonine-protein kinase (Akt-1) is an enzyme encoded by AKT1
gene in Homo sapiens. Akt-1 is responsible for regulating many cellular processes.
An increase in Akt-1 activity inhibits apoptosis leading to cancer. Bexarotene, a
retinoid holds a promise to be used in inhibiting cancers. Hesperidin, a flavanoid, can
act as an anticarcinogenic agent.. In the present study three-dimensional structure of
Akt-1 was successfully modelled using Swiss Model Workspace and validated by
Molprobity, Verify 3D, ERRAT2 and ProSA. Molecular docking analysis by
iGEMDOCK showed significant binding between the ligands (bexarotene and
hesperidin) and Akt-1. Both ligands may be targeted against Akt-1 and after further in
vivo investigations these might be used as drugs in cancer treatment.

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Published

31.03.2014

How to Cite

MALIK MOHAMMED ADIL MUSTUFA, SHUBHRA CHANDRA, & SAIMA WAJID. (2014). HOMOLOGY MODELING AND MOLECULAR DOCKING ANALYSIS OF HUMAN RAC-ALPHA SERINE/THREONINE PROTEIN KINASE. International Journal of Pharma and Bio Sciences, 5(1), 1033–1042. Retrieved from https://ijpbs.net/index.php/journal/article/view/3223

Issue

Volume 5, Issue 1, 2014

Section

Research Articles

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