alexa MODELING AND DOCKING STUDIES OF SIGNAL TRANSDUCERS AND


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Research Article

MODELING AND DOCKING STUDIES OF SIGNAL TRANSDUCERS AND ACTIVATORS OF TRANSCRIPTION 4 (STAT4) PROTEIN INVOLVED IN CANCER

G.Deepika1., Sepideh Bana Khojasteh2., Shahab Shahryari3 P.Seshapani4., J.Pramoda Kumari5
  1. Department of Bioinformatics, Global institute of Biotechnology, Himayat nagar Hyd-29
  2. Department of Bioinformatics, Global institute of Biotechnology, Himayat nagar Hyd-29
  3. Department of Bioinformatics, Global institute of Biotechnology, Himayat nagar Hyd-29
  4. Department of Microbiology, Sri Venkateswara University, Tirupathi-517501
  5. Department of Microbiology, Sri Venkateswara University, Tirupathi-517501
Corresponding Author: E-mail: [email protected]
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Abstract

In order to identify a better drug for cancer, Signal Transducers and Activators of Transcription 4 (STAT4) protein was selected as target. A three dimensional (3D) model of the STAT4 is generated based on the crystal structure of 1Y1U template by using Modeller software. With the aid of the molecular mechanics and molecular dynamics methods, the final model is obtained and is further assessed by Procheck and Verify 3D graph programs, which showed that the final refined model is reliable. With this model, a flexible docking study is performed with different drugs and the results indicate that Flurbiprofen is a more preferred inhibitor than other drugs, and that forms hydrogen bond with the STAT4 which is in good agreement with the experimental results. From the docking studies, we also suggest that MET3, ARG4, THR5 in STAT4 domain are three important residues in binding. The hydrogen bonding interactions play an important role for stability of the complex. Our results may be helpful for further experimental investigations

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