Structure-Based Virtual Screening (SBVS) Service

Structure-based virtual screening (SBVS) is a computational method used in early drug discovery activities to search compound libraries for new biologically active molecules against specific drug targets. It uses the three-dimensional (3D) structure of the biological target obtained by computational models and other methods to dock a series of chemical compounds to the binding site, and selects a subset of these compounds based on the predicted binding for further biological evaluation.

Figure 1. Process of Structure-Based Virtual Screening (SBVS) Service.

Overall solutions

• Target design. Often these targets are closely related to a particular disease, and inhibiting or altering these targets will help treat the disease.
• Design and synthesis of a library of compounds containing a variety of small-molecule fragments of drugs. The ideal small molecule fragment should have a certain affinity for the active site of the target, such as the target protein or the targeting enzyme.
• Screening of small synthesized fragments using pre-designed targets.
• According to the results of the screening, molecular fragments with better activity can be obtained, and the lead compounds can be obtained by appropriately combining the fragments.
• The chemical structure of the obtained lead compound is further modified and further optimized to obtain a drug candidate for clinical research.

Figure 2. Process of structure-based virtual screening.

Our services

CD ComputaBio can offer you but not limited to:

• Ligand-based Virtual Screening (LBVS) Service
• Reverse Virtual Screening
• 3D-QSAR Service

CD ComputaBio' structure-based virtual screening (SBVS) service can significantly reduce the cost and labor of the subsequent experiments. Virtual screening technology service is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.