G protein-coupled receptors (GPCR) are the largest family of cell surface receptors and arguably the most important family of drug targets. With the breakthrough of X-ray crystallography and cryo-electron microscopy technology, more than 300 GPCR-ligand complex structures have been publicly reported since 2007, covering about 60 unique GPCRs. Such a wealth of structural information will undoubtedly help target GPCR to carry out structure-based drug design.
The overall process of our fragment-based GPCR ligand design method is shown in Figure 1:
Figure 1. Flow chart of fragment-based GPCR ligand design. (1) Generate CIP from the GPCR-ligand complex structure; (2) Construct fragment-residue interaction pattern library from known GPCR ligands by molecular docking; (3) Fragment by calculation based on CIP similarity Search; (4) Assemble the searched fragments to design new structures; (5) Obtain candidate compounds from commercial compound libraries through similarity search.
|Project name||Fragment-based Approach to Design GPCR Ligand Service|
|Samples requirements||Our fragment-based approach to design GPCR ligand service requires you to provide specific requirements.|
|Screening cycle||Decide according to your needs.|
|Service including||We provide you with raw data and analysis service.|
ComputaBio' fragment-based approach to design GPCR ligand service can significantly increase the hit rate of lead compounds and reduce the cost of later experimental screening. Our services is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.