Comparative Modeling, Molecular Docking, and Revealing of Potential Binding Pockets of RASSF2; a Candidate Cancer Gene

Interdisciplinary Sciences, Computational Life Sciences
Sonia KanwalSheikh Arslan Sehgal

Abstract

RASSF2, potential tumor suppressor gene, acts as a KRAS-specific effectors protein and may promote apoptosis and cell cycle arrest. It stabilizes STK3/MST2 by protecting it from proteasomal degradation. RASSF2 plays a significant role against the inhibition of cancer. MODELLER (9v15) and online servers (I-Tasser, SwissModel, 3D-JigSaw, ModWeb) were utilized to generate 3D structures of the RASSF2 based on homology modeling. A comparison between models predicted by MODELLER (9v15) and Web servers had been checked through utilized evaluation tools. The most potent model for RASSF2 was analyzed and selected for molecular docking studies. The binding pockets were revealed for binding studies through Site Hound. AutoDock Vina and AutoDock4 were utilized for molecular docking, and the attempt of this experiment was to identify the ligands for RASSF2. The selected compounds may act as regulators and regulate the normal activity of RASSF2. It was also analyzed and observed that the selected compounds showed least binding energy and high-affinity binding in predicted top binding domain. The determination of protein function is based on accurate identification of binding sites in protein structures. The binding site is known, and it may ...Continue Reading

References

Oct 5, 1990·Journal of Molecular Biology·S F AltschulD J Lipman
Sep 1, 1994·Protein Science : a Publication of the Protein Society·A Sali, J P Overington
Sep 1, 1993·Protein Science : a Publication of the Protein Society·C Colovos, T O Yeates
Jan 27, 2000·Cell·D Hanahan, R A Weinberg
Feb 22, 2001·Science·J C VenterX Zhu
Jan 31, 2003·Proteins·Simon C LovellDavid C Richardson
May 7, 2003·The Journal of Biological Chemistry·Michele D VosGeoffrey J Clark
Dec 4, 2003·Mutation Research·Elza T Sakamoto-HojoGeraldo A S Passos
Jul 21, 2004·Journal of Computational Chemistry·Eric F PettersenThomas E Ferrin
Dec 3, 2004·Cancer Research·Kristin EckfeldGeoffrey J Clark
Jul 14, 2005·Gastroenterology·Kimishige AkinoTakashi Tokino
Jul 22, 2005·Nature Reviews. Cancer·Anthony M Brumby, Helena E Richardson
Nov 23, 2005·Bioinformatics·Konstantin ArnoldTorsten Schwede
Oct 3, 2006·International Journal of Cancer. Journal International Du Cancer·Zhe ZhangGuangwu Huang
Feb 28, 2007·Disease Markers·Luke B HessonFarida Latif
Jan 25, 2008·BMC Bioinformatics·Yang Zhang
Feb 26, 2008·Cancer Science·Takashi ImaiTakashi Tokino
Jun 11, 2008·Methods in Molecular Biology·Narayanan EswarAndrej Sali
Apr 29, 2009·Nucleic Acids Research·Marylens HernandezRoberto Sanchez
Dec 8, 2009·Biochemical and Biophysical Research Communications·Hoogeun SongDae-Sik Lim
Nov 3, 2010·Genes & Development·Charles J David, James L Manley
Jan 25, 2011·Nature Reviews. Cancer·Rob A CairnsTak W Mak
Mar 8, 2011·Cell·Douglas Hanahan, Robert A Weinberg
Nov 29, 2012·Journal of Genetic Counseling·Janice L BerlinerTodd Tillmanns

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Citations

Nov 14, 2019·Current Topics in Medicinal Chemistry·Rana Adnan TahirSheikh Arslan Sehgal
Feb 8, 2020·Stroke and Vascular Neurology·Benquan LiuJingwei Jiang
Dec 21, 2018·Journal of Cellular Physiology·Rana Adnan TahirSheikh Arslan Sehgal
Oct 21, 2018·International Journal of Molecular Sciences·Romina Gabriela ArmandoDaniel Eduardo Gomez

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