Small Molecule Drug Virtual Screening Service
Virtual screening is used to identify active small molecules against a certain biological target from a large chemical library. It can narrow down a set of hits with potential biological activities from a large small-molecule library. With its professional expertise in computational technology and bioinformatics, CD ComputaBio has launched a small molecule virtual screening service. This service aims to help pharmaceutical companies, research institutions, and other clients quickly and efficiently identify active small molecules against specific biological targets from vast chemical libraries, thereby facilitating the drug development process.
Fig.1 The workflow of virtual screening for small molecule drugs. (Fischer A, et al.; 2020)
Our Service
CD ComputaBio leverages its exceptional technical expertise and extensive industry experience to offer comprehensive and customized virtual screening services for small molecules to clients worldwide.
Workflow of Small Molecule Drug Virtual Screening Service
Information Collection - Investigate and collect information related to the target.
Structure Prediction - Use homology modeling and other methods to predict the target's structure if it is unknown.
Compound Library Construction - Construct a library of small molecule compounds for screening.
Compound Filtering - Rank the small molecules according to their scores and select the higher-scoring ones as potential active compounds.
Results Delivery
Active Small Molecule Compounds
Providing the client with a list of small molecule compounds with potential bioactivity obtained after screening, along with the binding poses of the active small molecules at the active site.
Activity Scoring and Ranking
Ranking the screened small molecules based on molecular docking scores, binding affinity predictions, and other results to provide clients with clear research priorities.
CD ComputaBio's small molecule virtual screening services, supported by a professional team, advanced technology, abundant resources, and scientifically efficient processes, have become a reliable partner for researchers in drug development. We are committed to providing robust support for global clients in their exploration of drug research and development. If you are interested in our services or have any other questions, please feel free to contact us.
Reference:
- Fischer, A.; et al. Potential inhibitors for novel coronavirus protease identified by virtual screening of 606 million compounds. International journal of molecular sciences. 2020, 21(10): 3626.
* For Research Use Only.
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