What is SBDD?

What is Structure-Based Drug Design (SBDD)?

Structure-Based Drug Design (SBDD) is a method of designing drug candidates by using the 3D structure of a biological target, usually a protein. By understanding how a ligand (drug candidate) interacts with a specific binding site, researchers can design molecules that fit perfectly, improving efficacy and reducing side effects.
Ultimately, the information about a ligand’s binding mode is used to predict compounds with improved potency

SBDD is applied in:

Lead discovery
Compound optimization
Target assessment

Understanding Your Complex Is Imperative to Write Success Stories

In order to make informed decisions on the next steps during a drug discovery project, it is crucial to understand how your ligand interacts with the target structure.

For this, a thorough understanding of the binding mode of the ligand, as well as the areas with favorable interaction patterns and those that should be improved, is required.

Our drug discovery dashboard SeeSAR is your sparing partner for interactive compound ideation. Visual support helps you to easily assess your ligand-target complex.

Bread and Butter of Computer-Aided Drug Discovery

With SeeSAR, common tasks like the prediction of druggable binding sites, pose generation of ligands and their assessment become intuitive, efficient and visually guided.

Our scoring algorithm HYDE highlights the individual contributions of each atom to the overall binding affinity to help you spot areas to improve.

Our tools to improve your research:

SeeSAR: BioSolveIT's drug design dashboard with a sophisticated and easy-to-operate user interface.
Detect druggable domains of your target structure with the Binding Site Mode.
Dock and assess the poses of your ligands within SeeSAR's Docking Mode. Command-line versions of the docking tool (FlexX) and the complex scoring (HYDE) are available.

SeeSAR’s Inspirator Mode: Sometimes Medicinal Chemists Need Help As Well

Every drug discovery project comes with its own challenges and goals. This can lead to quickly exhausting one's knowledge repertoire and heading straight towards a dead end.

The Inspirator Mode helps you to generate sound solutions for several scenarios: Replacing an undesired scaffold, generating promising analogs or grow your compound into unoccupied binding pockets.

How we can help with inspiration:

SeeSAR's Inspirator Mode features several powerful algorithms to tackle the challenges of the project.
FastGrow screens through hundred-thousands of extensions within seconds for the best shape to complement a binding site. Also available as command-line version.
ReCore searches the best 3D match to connect two vectors of a molecule. Several databases are available to help with guided compound design.

Advance Your Compound to Their Highest Potential

The only thing standing between you and the most promising drug candidates is the download button.

Unlock the full potential of your project with BioSolveIT’s tools!

Sophisticated and easy-to-use drug discovery dashboard.
Binding site prediction and docking of molecule libraries.
Compound ideation and lead optimization to guide you to success!