SHP-1, an SH2 domain-containing phosphatase, is a widely studied cytoplasmic tyrosine phosphatase. SHP-1 regulates a wide range of cellular functions and targets, regulating the flow of information from the cell membrane to the nucleus. It has two tandem SH2 domains at its N-terminus, followed by a catalytic domain and an inhibitory C-terminus. SHP-1 is highly expressed in hematopoietic tissues and generally negatively affects lymphocyte signaling. Although initially studied in the hematopoietic system, further studies have expanded our understanding of Shp1's biological role in other tissues, suggesting that it is a novel tumor suppressor gene that is functionally associated with distinct features of cancer. The primary mechanism by which SHP-1 inhibits cancer development and progression is its ability to attenuate and/or terminate signaling pathways that control cell proliferation, survival, migration, and invasion. Therefore, alterations in SHP-1 function or expression may contribute to a variety of human diseases, especially cancer. In cancer cells, SHP-1 activity is indeed affected by mutations or epigenetic silencing that lead to failure of Shp1-mediated homeostasis maintenance. Therefore, using SHP-1 as a target for drug development is a very promising option. CD ComputaBio provides SHP-1 targeting services to customers to accelerate the progress of their research.
Our Services
- Targeted protein structural analysis
The crystal structure of SHP-1 protein molecule can be obtained by X-ray single crystal diffraction technology or 3D structure simulation of existing homologous molecules, and then the information of its binding site can be determined;
- Analysis of target protein properties
Use molecular simulation software to analyze the structural properties of the SHP-1 binding site, such as electrostatic field, hydrophobic field, hydrogen bonding site distribution and other information;
- Lead Candidate Search
After obtaining the binding site information, use database search software or new drug molecular design technology to screen molecules whose molecular morphology and physicochemical properties match the SHP-1 action site;
- Candidate compound validation
Synthesize and test the biological activity of these molecules, and after several cycles, new lead compounds can be discovered.
Our Advantage
- Use DRID, GREEN, HSITE and other active site analysis software, combined with software based on Monte Carlo and simulated annealing technology to quickly and accurately find atoms or groups that interact well with the active site of biological macromolecules;
- Flexible selection of ligand-based (commonly used software such as Catalyst and Unity, etc.) and receptor-based (commonly used software such as DOCK, F1exX and GOLD, etc.) search methods for database search;
- In the event that a suitable lead compound cannot be found in the compound database, we offer a new compound synthesis service, which enables new compound design through advanced bioinformatics software.
Our Capabilities
In each therapeutic area, CD ComputaBio has accumulated deep expertise in discovery informatics, computational chemistry/molecular modeling, medicinal chemistry, structural biology, in vivo and in vitro pharmacology, and translational science. During the drug discovery process, our team focuses on early lead compounds in different target classes and uses a wide range of techniques, including molecular screening, molecular modeling, medicinal chemistry, structural biology, bioinformatics and computational chemistry, to identify new target the direction of drug development, and then select suitable drug candidates through low-cost, high-efficiency computer simulations to ensure high efficiency and low risk in the later drug development process. Our computational biology team has extensive experience in the research of SHP-1 targets. Please consult our professional team for details.
Reference
- Wu C, et al.; The function of the protein tyrosine phosphatase SHP-1 in cancer. Gene. 2003, 306:1–12.
* For Research Use Only.
Related Services
