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Using X-ray crystallography in drug discovery.

R Scott Rowland¹

¹BioCryst Pharmaceuticals Inc, Crystallography Department, 2190 Parkway Lake Drive, Birmingham, AL 35244, USA. srowland@biocryst.com

Current Opinion in Drug Discovery & Development

|August 29, 2002

Summary

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Structure-based drug design (SBDD) has evolved significantly, integrating new technologies and considerations to optimize drug discovery. This review highlights recent advancements in the SBDD cycle for improved drug development.

Area of Science:

Biochemistry
Medicinal Chemistry
Pharmacology

Background:

Crystallography has been instrumental in advancing drug discovery.
The structure-based drug design (SBDD) cycle is a key application of crystallography.

Purpose of the Study:

To review recent examples of SBDD.
To illustrate the evolution of the SBDD cycle.
To showcase novel applications of crystallography in drug design.

Main Methods:

Review of recent literature and case studies in SBDD.
Analysis of the integration of new technologies into the SBDD cycle.
Examination of evolved SBDD cycle dimensions.

Main Results:

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The SBDD cycle has expanded to include related structures, global drug parameters, and binding affinity.

Technologies like combinatorial chemistry and virtual screening are now integrated.

Novel methods for direct crystal utilization have emerged.

Conclusions:

The SBDD cycle has become more sophisticated and comprehensive.
Integration of diverse technologies enhances drug discovery efficiency.
Crystallography continues to offer innovative approaches in drug development.