Virtual Screening Service
The development of complex algorithms, high-throughput screening methods, and advanced software tools has enhanced the accuracy and efficiency of virtual screening. Additionally, the integration of artificial intelligence and machine learning technologies with virtual screening has further improved predictive capabilities, making the drug discovery process more precise and reliable.
CD ComputaBio provides comprehensive and highly adaptable virtual screening service solutions tailored to the specific needs of clients, offering robust support for the early stages of drug research and development.
Fig.1 Filtering optimized compounds through virtual screening. (Moreira-Filho J T, et al.; 2020)
Our Service
CD ComputaBio provides a complete suite of virtual drug screening services to clients with virtual drug screening needs. Clients only need to provide biological information related to the target, and we will screen for the optimal active compounds for you, laying the foundation for further biological activity evaluation.
Our Virtual Screening Strategies
Virtual screening is a powerful method to discover novel hit compounds through structure-based virtual screening (SBVS), ligand-based virtual screening (LBVS), or fragment-based virtual screening (FBVS).
Structure-based Virtual Screening
The method utilizes the 3D structure of proteins to identify potential ligands that can bind to target sites, thereby aiding in the identification of promising drug candidates. The accuracy and reliability of SBVS make it a preferred choice for researchers and pharmaceutical companies.
Ligand-based Virtual Screening
The method relies on known information of ligands binding to the target protein to predict other compounds that may bind to the same target. When the 3D structure of the target protein is unavailable, LBVS is very useful, making it a complementary approach to SBVS.
Fragment-based Virtual Screening
The method involves designing and establishing a compound library composed of fragment molecules, and screening the fragments in the library for biological activity to identify hit fragment molecules.
Fig.2 CD ComputaBio virtual screening protocol.
Applications
Drug Discovery
Virtual screening services have become an integral part of the drug discovery process, enabling researchers to identify potential drug candidates more efficiently and cost-effectively.
Material Science
The ability to screen large libraries of compounds and identify promising candidates with desired properties has made virtual screening an invaluable tool in material science research.
Chemical Biology
Virtual screening services play a crucial role in chemical biology by facilitating the identification of bioactive compounds and elucidating their mechanisms of action.
Others
The versatility and effectiveness of virtual screening technology have led to its application in fields such as environmental science, agricultural research, and food science.
Why Choose CD ComputaBio?
- Possessing extensive expertise and technical advantages.
- Offering flexible and targeted screening solutions.
- Combining scientific rigor with technical proficiency.
Virtual screening is a powerful tool in the drug discovery process. CD ComputaBio is dedicated to providing specialized and customized services in this field. Our goal is to help you identify promising drug candidates and accelerate your research to develop effective therapies. Contact us today to learn how our virtual screening services can assist your drug discovery efforts.
Reference:
- Moreira-Filho, J T.; et al. In silico strategies to support fragment-to-lead optimization in drug discovery. Frontiers in chemistry. 2020, 8: 93.
* For Research Use Only.
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