Structure-based drug design
Article Abstract:
The information about the three-dimensional structures of macromolecules is a useful basis for the designing of new drugs. The refinement, resolution and the restraints in the structural analysis determine the accuracy of the three-dimensional structures. The structure-based drug designs initially involve the graphical display of hydrogen bonds, molecular surfaces and electrostatic fields. The target protein is defined and the active site that will bind the ligands is computed. The structure-based approach will play a important role in the designing of new proteins, drugs and vaccines.
Publication Name: Nature
Subject: Zoology and wildlife conservation
ISSN: 0028-0836
Year: 1996
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Structure of porphobilinogen deaminase reveals a flexible multidomain polymerase with a single catalytic site
Article Abstract:
Porphobilinogen deaminase (PBGD), an important enzyme in the biosynthetic pathway of tetrapyrroles, is structurally similar to the transferrins and periplasmic binding proteins. PBGD's dipyrromethane cofactor is covalently associated with domain 3 but is also attached to the salt-bridges and hydrogen-bonds in the cleft separating domains 1 and 2 in a location that corresponds to the binding sites for small-molecule ligands in the protein analogues. This structure, verified by X-ray analysis, indicates that PBGD has one catalytic site.
Publication Name: Nature
Subject: Zoology and wildlife conservation
ISSN: 0028-0836
Year: 1992
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Brief encounters bolster contacts
Article Abstract:
Structural evidence is provided for the transient interactions necessary for the formation of multi-component complexes of proteins, nucleic acids and other molecules. It is shown that rare encounter complexes might control not only the kinetics of the assembly process, but also the way the complex is put together and hence the population of nonspecific complexes can be restricted by the order in which the different subunits are assembled.
Publication Name: Nature
Subject: Zoology and wildlife conservation
ISSN: 0028-0836
Year: 2006
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