Bulletin of ANPA

Abstract submitted to ANPA Conference July 14–16, 2023

Volume 5, Number 1

Biological, Medical, Soft Matter and Chemical Physics
Abstract ID: ANPA2023-N00029

Abstract:

ANPA2023-N00029: Insights on the Interactions of Kaiso with p120 catenin from Molecular Simulations

Authors:

  • Bidhya Thapa; Central Department of Physics, Tribhuvan University, Kathmandu, Nepal
  • Narayan P. Adhikari; Central Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal
  • Purushottam B. Tiwari; Department of Oncology, Georgetown University, Washington, D.C. 20057, USA
  • Prem P. Chapagain; Department of Physics, Florida International University, Miami, FL 33199, USA
  • ; Biomolecular Sciences Institute, Florida International University, FL 33199, USA

Protein-Protein interactions are crucial for the regulation of various cellular and biological processes. Molecular level insights on the interaction of Zinc finger (ZF) protein Kaiso with its binding partner p120 catenin are essential because of their role in development and cancers. Despite their important biological role, there is no structural characterization of the Kaiso-p120 catenin complex. In this work, we first modeled the optimum complex between Kaiso and p120 catenin through molecular docking and employed molecular dynamics (MD) simulations to investigate the structural features of this complex. Our MD simulation results show that the non contiguous 5’- and 3’- flanking regions of ZF domains in Kaiso interact with the 1-7 arm repeats of p120 catenin. The root mean square deviation (RMSD) measurements from the 500 ns of the MD simulation time reveal the stability of the Kaiso-p120 catenin complex. In addition, we identified the major interacting residues involved in the binding of these two proteins. Furthermore, we explored various non-covalent interactions such as; hydrogen bonds, salt-bridges, as well as hydrophobic interactions that are responsible for the complex formation and stabilization.

To cite this abstract, use the following reference: https://anpaglobal.org/conference/2023/ANPA2023-N00029