Team:BIT-China/Model/Docking

MODEL-Docking

Purpose

We establish the receptor structure model. It helps us to understand how the sweeteners bind with T1R2-T1R3 receptor. Otherwise we hope to find some unknown sweeteners’ binding sites through this model, and to find unknown sweeteners. In our project, we need to reform Gα， and structure model can give us some advice in lab.

Method

First, we use the method of homology modeling to establish the structure model of T1R2 / T1R3 on swiss-model, and then we find out the PDB file such as glycyrrhizic acid, aspartame, stevioside, sucralose and sucrose by searching the database, and then use Aotodock for molecular docking.

Result

For crystal structure of human being’s T1R2-T1R3 has not been analyzed , so we use homology modeling method to get the structure of T1R2-T1R3 receptor. We get the homology human structure of ligand binding domain based on the protein structure of fish. And this structure is our model base for molecular docking, besides we use softwares, chemdraw 2D and chemdraw 3D, to build PDB files of sweeteners for docking material.