Fragment-Based Drug Design

Fragment-Based Drug Design (FBDD) is a drug discovery approach that starts with small, low-molecular-weight chemical fragments, which are screened for binding to a biological target. These fragments are then optimized and linked to create potent drug candidates with high affinity and specificity. It contrasts with high-throughput screening by focusing on simpler molecules that can be more efficiently developed into lead compounds.

Also known as: FBDD, Fragment-Based Lead Discovery, Fragment Screening, Fragment-Based Approach, Fragment-Based Discovery

Why learn Fragment-Based Drug Design?

Developers should learn FBDD when working in computational chemistry, pharmaceutical research, or bioinformatics, as it enables efficient identification of novel drug leads with better binding properties and reduced off-target effects. It is particularly useful for targeting challenging proteins like protein-protein interactions, where traditional methods often fail, and for optimizing fragment hits into clinical candidates using structure-based design.

Learning Resources

• docs: Fragment-Based Drug Design: A Practical Introduction
• tutorial: Fragment-Based Drug Design - Tutorial by RSC
• course: Coursera: Drug Discovery
• video: YouTube: Introduction to Fragment-Based Drug Design
• book: Book: Fragment-Based Drug Discovery