In computer-aided drug design, what do SBDD and LBDD stand for?

• A. De Novo Drug Design And Fragment-Based Drug Design
• B. Structure Based Drug Design And Ligand Based Drug Design
• C. Systematic Bioinformatics Drug Design And Ligand Cross Design
• D. Sequential Binding Drug Design And Ligand Driven Design

Answer: (B)

SBDD and LBDD are two main branches of computer-aided drug design defined by what information you use to guide the design. Structure Based Drug Design relies on the three-dimensional structure of the biological target to steer how a new ligand should fit the binding site. It uses approaches like docking, scoring, and structure-guided optimization, and it can draw on experimental structures from X-ray, NMR, or cryo-EM, or on models built by homology when an exact structure isn’t available. The idea is to directly exploit how the target’s shape and chemistry interact with potential binders.

Ligand Based Drug Design, on the other hand, uses information from known ligands and their activities when the target structure isn’t available or isn’t the primary guide. It derives pharmacophore models that capture the essential features needed for activity and builds quantitative structure–activity relationship (QSAR) models to relate molecular properties to activity. It often relies on similarity to known actives and on shape or property comparisons to design new compounds.

So the correct interpretation is that SBDD stands for Structure Based Drug Design and LBDD stands for Ligand Based Drug Design.