Document Type : Research Paper

Authors

• mohabbat ansari ¹
• Mohsen Shahlaei ²
• Danial Kahrizi ³
• Tahereh Naseriyeh ⁴
• Amin Nowroozi ²
• Sajad Moradi ²

¹ Nano Drug Delivery Research Center, Health Technology Institute, Kermanshah University of medical sciences, , Iran

² Nano Drug Delivery Research Center, Health Technology Institute, Kermanshah University of medical sciences, Kermanshah, Iran

³ Agricultural Biotechnology Department, Faculty of Agriculture, Tarbiat Modares University, Tehran, Iran

⁴ Nanobiotechnology Department, Faculty of Innovative Science and Technology, Razi University Kermanshah, Iran

Abstract

As the mutated P53 protein is one of the most important factors in most cancers, direct application of its wild type into tumor sites is considered as potential cancer therapy. Optimizing a proper drug formulation for sensitive molecules is much time and cost consuming which urges developing other time and cost effective methods. The copolymer of poly Lactic-Co-Glycolic Acid is one of the most widely used polymer in the pharmaceutical industry due to its high biocompatibility and safe biodegradability. In this research, the interactions between p53 and different monomer rations types of this polymer were investigated using the computational methods of molecular dynamics.

The 3-D structure of polymers was designed with different monomers and their related topologies were prepared using the PRODRG server. Simulations were performed using GROMACS package for 100 nanoseconds at the temperature of 300K and pressure of 1bar.

The results indicated that all three existing copolymers are capable of interacting with the protein, but the quantity and quality of these interactions are different. By increasing the ratio of glycolic acid in the polymer, the flexibility and ability of doing interaction with the protein is enhanced. However the polymer with equal ratio of monomers was better able to maintain protein secondary structures and dynamic pattern.

Ultimately, this study recommends that a poly lactic-co-glycolic acid with equal ratios of monomers is more suitable for stabilization of p53 in its formulations.

Keywords

• Cancer
• Protein-polymer interaction
• Gromacs
• Nano formulation
• Nano drug delivery

Main Subjects

• Cellular biology