Fragment-Based Drug Design: From Then until Now, and Toward the Future

Area of Science:

• Medicinal Chemistry
• Drug Discovery
• Computational Biology

Background:

• Fragment-based drug design (FBDD) offers a complementary approach to traditional high-throughput screening (HTS).
• FBDD has evolved over nearly 50 years, contributing to multiple approved drugs.
• Integration of structural and computational tools has enhanced FBDD efficiency for rational drug design.

Discussion:

• FBDD is crucial as drug discovery expands to novel modalities and traditionally undruggable targets.
• It enables targeting a wide range of biomolecules, including proteins and RNAs.
• The strategy is vital for addressing complex biological challenges in modern drug development.

Key Insights:

• FBDD has a proven track record with multiple successful drug approvals.
• Computational and structural methods significantly boost FBDD's effectiveness.
• FBDD is adaptable for diverse and challenging biological targets.

Outlook:

• Continued advancements in FBDD, incorporating novel computational and screening methods, are essential.
• FBDD will play a pivotal role in future drug discovery endeavors.
• The approach promises continued success in medicinal chemistry for developing new therapeutics.