Ligand in drugs

Dorman G, Prestwich GD. 2000. Using photolabile ligands in drug discovery and development. Trends Biotechnol 18 64-77. 

There are many applications for microarray SPR, which will generally also hold for other types of microarrays to name just a few these are as follows screening for ligands in drug discovery, screening for enzyme substrates, for example, kinases and proteases, screening for biomarkers in diagnostics and other clinical applications and the study of protein networks. 

The molecular surface of receptor site regions cannot be derived from the structure infoi mation of the molecule, bth represents the form ofthe active site of a protein surrounded by a ligand. This surface representation is employed in drug design in order to illustrate the volume of the pocket region or the molecular interaction layers [186. ... 

Depending on the information available about the protein structure and the ligands binding to a particular target, four different cases can be distinguished in drug design, as listed in Table 10.4-2. 

Figure 10.4-5. Different strategies to design a ligand in structure-based drug design docking (left), building (center), and linking (right),...

J M and J S Dixon 1993. A Good Ligand Is Hard to Find Automated Docking Methods. spectives in Drug Discovery and Design 1 301-319. 

R and M M Hann 2000. The In Silico World of Virtual Libraries. Drug Discovery Today 5 326-336. R and I D Kuntz 1990. Conformational Analysis of Flexible Ligands in Macromolecular eptor Sites. Journal of Computational Chemistry 13 730-748. 

Pearlman R S and K M Smith 1998. Novel Software Tools for Chemical Diversity. Perspectives in Dn Discovery and Design vols 9/10/ll(3D QSAR in Drug Design Ligand/Protein Interactions ar Molecular Similarity), pp. 339-353. 

Moreover, molecular modeling is one key method of a wide range of computer-assisted methods to analyze and predict relationships between protein sequence, 3D-molecular structure, and biological function (sequence-structure-function relationships). In molecular pharmacology these methods focus predominantly on analysis of interactions between different proteins, and between ligands (hormones, drugs) and proteins as well gaining information at the amino acid and even to atomic level. 

Pozzan, A. Molecular descriptors and methods for ligand based virmal high throughput screening in drug discovery. Curr. Pharm. Des. 2006, 12, 2099-2110. 

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