Inverse Virtual Screening

Inverse virtual screening (IVS) is a computational method for predicting possible biological targets of a target molecule. This technique has important applications in computer-aided drug design and target discovery. CD ComputaBio is a company focusing on providing efficient and accurate biocomputing services, and is dedicated to providing customers with comprehensive target fishing and targeting analysis services through inverse virtual screening technology.

Introduction of Inverse Virtual Screening

Inverse virtual screening is a computational method for predicting the biological targets of a target molecule. This strategy involves screening a set of potential protein targets to determine the likely biological target of a molecule. In contrast to traditional virtual screening, in which a large library of compounds is typically screened to find compounds that interact with a specific protein target, the IVS process centers on a given chemical molecule to find its possible protein target. This approach provides a valuable tool for computational target fishing and target characterization.

Fig 1. The docking of a single molecule against multiple targets. (LAURO, G.; et al. 2011)

Advantages of Our Services

• Efficient and reliable algorithm system - CD ComputaBio utilizes advanced molecular docking algorithms and machine learning models to improve the accuracy and efficiency of reverse virtual screening.
• Extensive biological database support - Enhance the comprehensiveness and accuracy of target identification by integrating data resources from multiple authoritative databases.
• User-friendly platform - Provide a variety of data visualization tools and interactive interfaces to facilitate users' result analysis and further research.
• Personalized solutions - Provide customized reverse virtual screening services according to customers' specific needs, ensuring that the results meet the requirements of specific research projects as much as possible.

Our Services Process

Applications

1. 1 Drug Discovery - IVS accelerates the identification of potential drug candidates by revealing novel targets and off-target effects.
2. 2Biology Research - Helps in understanding protein function and interaction networks.
3. 3Toxicology - IVS can predict toxic interactions, aiding in the assessment of drug safety.

As a company dedicated to providing efficient and accurate computational methods, CD ComputaBio has extensive experience and technological advantages in the field of reverse virtual screening. Our services are capable of combining a variety of advanced computational techniques, such as molecular docking, molecular dynamics simulation, and machine learning, to comprehensively screen and predict potential biological targets of compounds. Please contact us and we look forward to being your trusted partner in your scientific research and drug discovery process.