Computer Aided Drug Design
Computer-aided drug design (CADD) is a brand-new technology for the research and development of new drugs developed in the past 30 years. It has gradually become an independent pharmaceutical branch. With the power of computers, global drug research and development has embarked on a vigorous development highway. CADD is based on mathematics, medicinal chemistry, biochemistry, molecular biology, structural chemistry and other disciplines such as quantum chemistry, molecular mechanics, etc., with the help of computer numerical calculation and logical judgment, database, graphics, artificial intelligence to carry out reasonable drug design. CD BioSciences' CADD team has successfully supported multiple medicinal chemistry integrated projects or individual projects. With the help of advanced modeling and chemical informatics software, as well as hardware equipment such as cluster servers and 3D graphics displays, the CADD team is committed to providing customers with a full range of drug design support and services.
Overall Solutions
- Structure-based drug design, including: molecular docking, virtual screening, skeleton migration, new drug design, homology modeling, conformational analysis, and quantitative calculation
- Ligand-based drug design, including: pharmacophore establishment, QSAR analysis, similarity search/clustering, R-group decomposition, matched pair analysis, potency cliff analysis
- Physicochemical properties and DMPK prediction, focus library/combination library establishment
- Professional consulting in computational chemistry
Method
This is the process of searching for potential compounds based on known targets. According to the principle of screening, forward screening can be divided into two categories, namely virtual screening based on molecular docking and virtual screening based on pharmacophore groups.
Reverse virtual screening is the process of finding potential drug targets for a given drug or small active molecule through computational methods. On the basis of the target database, CD BioSciences has successfully built a reverse virtual screening service platform, which can provide customers with compound target confirmation, drug new action research, drug toxicity and side effects research services, etc.
Our Services
|
Project Name
|
Computer Aided Drug Design
|
| Services |
- Molecular Dynamics Simulation (MD).
- Homology Modeling/Homology Modeling.
- De novo Design.
- Multiple Targeting Design.
- Scaffold Replacement.
- Combinatorial Library.
- Structure-activity Relationship Analysis and Modeling (QSAR)
|
| Cycle |
To be decided according to your needs. |
| Product Delivery Mode |
We provide you with raw data and analysis service. |
| Price |
Inquiry |
Our Advantages
- Efficient and versatile screening services that are not limited by the target structure.
- Both water and solvation effects are considered.
- We are equipped with super high-performance computer for CADD.
- Compound database compliant with predefined filtering rules.
Why Choose Us?
CD BioSciences' computer-aided drug design service can significantly increase the hit rate of lead compounds and reduce future experimental screening cost. It can be customized for different innovative scientific research. Before determining the corresponding analysis plan and price, each project needs to be individually evaluated. If you want to know more about service prices or technical details, please feel free to contact us.
