Lead discovery and in silico 3D structure modeling of tumorigenic FAM72A (p17)
- Authors
- Pramanik, Subrata; Kutzner, Arne; Heese, Klaus
- Issue Date
- Jan-2015
- Publisher
- SAGE PUBLICATIONS LTD
- Keywords
- Ugene; FAM72A; In silico; 3D structure; Cancer; RSM
- Citation
- TUMOR BIOLOGY, v.36, no.1, pp.239 - 249
- Indexed
- SCIE
SCOPUS
- Journal Title
- TUMOR BIOLOGY
- Volume
- 36
- Number
- 1
- Start Page
- 239
- End Page
- 249
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/158098
- DOI
- 10.1007/s13277-014-2620-7
- ISSN
- 1010-4283
- 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.
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