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Structural biology and drug discovery.

Giovanna Scapin¹

¹Department of Medicinal Chemistry, Merck & Co., Inc., Rahway, NJ 07065, USA. giovanna_scapin@merck.com

Current Pharmaceutical Design

|June 27, 2006

Summary

Macromolecular crystallography now aids drug discovery by revealing protein-ligand interactions. Advances in technology enhance structure-based drug design (SBDD), leading to better, safer medicines.

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Area of Science:

Biochemistry
Structural Biology
Pharmacology

Background:

Macromolecular crystallography is a key technique in pharmaceutical and biotechnology industries.
It provides high-resolution insights into protein-ligand interactions, crucial for drug development.

Purpose of the Study:

To review the evolution of macromolecular crystallography in drug discovery.
To illustrate how structural information is utilized across various stages of the drug discovery pipeline.

Main Methods:

High-throughput crystallization.
High-performance synchrotron beamlines.
Structural bioinformatics and computational chemistry.

Main Results:

Technological advancements have accelerated structure determination and structure-based drug design (SBDD).
Structural data is now integral to target selection and lead discovery, expanding beyond interaction analysis.

Conclusions:

Macromolecular crystallography has evolved into a versatile tool for modern drug discovery.
The methodology offers significant advantages despite being resource-intensive, driving innovation in pharmaceutical research.

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