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Tumor Biology

, Volume 36, Issue 1, pp 239–249 | Cite as

Lead discovery and in silico 3D structure modeling of tumorigenic FAM72A (p17)

  • Subrata Pramanik
  • Arne Kutzner
  • Klaus Heese
Research Article

Abstract

FAM72A (p17) is a novel neuronal protein that has been linked to tumorigenic effects in non-neuronal tissue. Using state of the art in silico physicochemical analyses (e.g., I-TASSER, RaptorX, and Modeller), we determined the three-dimensional (3D) protein structure of FAM72A and further identified potential ligand-protein interactions. Our data indicate a Zn2+/Fe3+-containing 3D protein structure, based on a 3GA3_A model template, which potentially interacts with the organic molecule RSM ((2s)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl] butanamide). The discovery of RSM may serve as potential lead for further anti-FAM72A drug screening tests in the pharmaceutical industry because interference with FAM72A’s activities via RSM-related molecules might be a novel option to influence the tumor suppressor protein p53 signaling pathways for the treatment of various types of cancers.

Keywords

Ugene FAM72A In silico 3D structure Cancer RSM 

Notes

Acknowledgments

This study was supported by Hanyang University. The authors declare no competing interests.

Supplementary material

13277_2014_2620_MOESM1_ESM.pdf (108 kb)
ESM 1 (PDF 107 kb)
13277_2014_2620_MOESM2_ESM.pdf (23.3 mb)
ESM 2 (PDF 23.2 MB)

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Copyright information

© International Society of Oncology and BioMarkers (ISOBM) 2014

Authors and Affiliations

  1. 1.Graduate School of Biomedical Science and EngineeringHanyang UniversitySeoulRepublic of Korea
  2. 2.Department of Information Systems, College of EngineeringHanyang UniversitySeoulRepublic of Korea

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