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Virtual Screening of Enzyme Inhibitors

Creative Enzymes has been engaged in all types of enzyme assays for decades. Our first-in-class services are built on the foundation of remarkable knowledge and expertise in enzymology. In addition, the extensive experience further supports reliable analysis for enzyme activities, especially in inhibitor screening. Due to the specific requirements of inhibitor screening, the task is often more challenging than regular protein assays. At Creative Enzymes the screening process is customized to fit your specific need, as well as accurately calibrated using reference enzymes and substrates.

Virtual screening workflow

Virtual screening of enzyme inhibitors

  Service
Inhibitor Virtual Screening Technical consultation and initial evaluation Get a quote
Construction of inhibitor libraries
Virtual screening and ranking of potential inhibitor
Follow-up studies
  • Activity validation
  • Directional evolution
  • Structure-activity relationship
  • Molecular mechanisms


FAQ:
Q1: What is virtual screening?

Virtual screening (VS) is a practical approach to search libraries of small molecules which mostly bind to drug targets, usually a protein receptor or enzyme. The advantage of using virtual screening is allowing automatic evaluation of very large libraries of compounds in a very short time at a relatively low cost. By screening large quantities of chemicals, which refer to enzyme inhibitors here, the candidates which can be synthesized, purchased or tested are filtered from an oversized library. Although it may have difficulties in searching the entire chemical universe, more practical VS scenarios focus on designing and optimizing targeted combinatorial libraries and enriching libraries of available compounds from in-house compound repositories or vendor offerings. As the accuracy of the method has increased, virtual screening has become an integral part of the inhibitor search for drug discovery process.

At Creative Enzymes, the up-to-date technology and expertise gives the perfect support to your research. For more detailed information, please feel free to contact us.



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