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In this study, a novel strategy was proposed to rapidly filter ineffective compounds and target the most potential leads.
PCDS can detect and distinguish differences between such closely related molecular species and between other interfering compounds and target molecules while sensing in mixture samples.
It is therefore an important topic in drug research to gain knowledge about the interaction of compounds and target proteins through computational methods.
13321_2013_487_MOESM1_ESM.docx Additional file 1: Autodock4 parameters. DOCX 21 KB) 13321_2013_487_MOESM2_ESM.xls Additional file 2: Table S1: Drug-target network of potential lead compounds and target proteins of platelet aggregation pathway.
Therefore, it is not possible to infer potential interactions between new drug candidate compounds and target proteins.
Thus, an advantage of the method presented here is that it is suitable for simultaneously screening huge numbers of drug candidate compounds and target candidate proteins.
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Companies need to make hard choices about which of the millions of compounds and targets they should pursue.
Figure 2 Predicted interactions for phospholipidosis-relevant compounds and targets.
At Bayer Healthcare, Pierce also sees growing applications of structure-function knowledge of compounds and targets.
Table 1 summarizes the number of compounds and targets of each set.
The relation between compounds and targets is defined by assay data from the Discovery Platform.
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