Drug design, isothermal titration calorimetry

Ion transfer, 14 (1977) 1 Irinotecan, anticancer agent, 34 (1997) 68 Isothermal titration calorimetry, in drug design, 38 (2001) 309... 

Ladbury, j. Isothermal titration calorimetry apphcation to structure-based drug design Thermochim. Acta 2001, 380, 209-215. 

The available crystal stracture of GST in complex with an anthrachinone sulfonate derivative (Figure 18.42) was used as a basis for the development of novel potent inhibitors. The authors used a related molecule, the Uniblue A derivative shown in Figure 18.43, to design twin drug molecules and to analyze the free energy of binding by isothermal titration calorimetry (ITC) measurements. Because of the proximity of the two active sites of the GST dimer and their location at opposite ends of the solvent-accessible... 

Despite the great diversity in the design of microcalorimeters and the experimental procedures described in the literature [1-10], only two microcalorimetric methods have found widespread application in cydodextrin (CyD) studies and drug-design research. These two methods are differential scanning calorimetry (DSC) and isothermal titration microcalorimetry (ITC). DSC and ITC can be con-... 

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