Docking interaction

Figure 8. Docking interaction of hemin with artemisinin analogue 99 in Sybyl showing hydrogen bonding between hemin side chains and the C-3 ester group of analogue 99.

A second, equally robust model was constructed using a mechanism of action hypotheses to affect conformation choice. Here, docking interaction with hemin alters the analogue conformation, and the final structure included in creation of the pharmacophore now represents the result of a force-field calculation incorporating the influence of the hemin molecule. 

Kallunki, T, Deng, T Hibi, M., and Karin, M. (1996). c-Jun can recruit JNK to phosphory-late dimerization partners via docking interactions. 57, 929-939. 

In the P450cam system, our understanding of the nature of the interactions between the Pdr and Pdx components is not fully developed. However, Cys73 of Pdx has been reported as important in the docking interaction between Pdx and Pdr . 

Roy, J. and Cyert, M.S, (2009) Cracking the phosphatase code docking interactions determine substrate specificity. Sci. Signal, 2 (100), re9,... 

Kallunki T, Deng T, Hibi M, Karin M. c-Jun can recruit JNK to phospho-rylate dimerization partners via specific docking interactions. Cell 1996 87(5) 929-939. 

The specificity of the amino acid charge-charge docking interaction must be pointed out. Non-amino acid enantiomers could still be separated by vancomycin and teicoplanin column in presence of copper ions clearly showing the multiple possible mechanisms of the macrocyclic glycopeptide selectors. The two enantiomers of tryptophan ethyl ester, a carboxylic acid blocked amino acid, could be separated on a ristocetin A chiral column in polar organic mode [16]. The separation did not involve the secondary amine on the macrocycle but other possible multiple interactions with the ristocetin A selector. 

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