Molecular recognition complementarity

The concepts of molecular recognition, complementarity, pre-organization and predisposition and self-assembly are fundamental to, and a recurrent theme in, supramolecular and metallosupramolecular chemistry. 

Information may be stored in the architecture of the receptor, in its binding sites, and in the ligand layer surrounding the bound substrate such as specified in Table 1. It is read out at the rate of formation and dissociation of the receptor—substrate complex (14). The success of this approach to molecular recognition ties in estabUshing a precise complementarity between the associating partners, ie, optimal information content of a receptor with respect to a given substrate. 

The affinity of a substrate with its biological target is first connected to its complementarity with this macromolecule. The molecular recognition and the affinity... 

The affinity of a substrate with its biological target is first connected to its complementarity with this macromolecule target. The molecular recognition and affinity depend on all the favorable interactions that exist in the supramolecular assembly formed between the substrate and the macromolecule. If the presence of fluorine atoms enhances the strength or the number of these favorable interactions, the affinity of the fluorinated substrate will be higher than that of the parent compound. The main parameters involved are the steric and conformational effects, the dipolar/hydrophobic interactions, and the hydrogen bonds. 

Zimmermann, Shapes, Selectivity, and Complementarity in Molecular Recognition, in Frontiers in Supramolecular Chemistry, H.-J. Schneider. H. Durr, Eds., VCH. Weinheim. 1991, p. 29. 

Figure 7.1.4. The scheme of formation of [2.2.2]cryptand. marked the start of molecular recognition studies. As described in Chapters 2 and 3, the Pedersen analysis was later extended by Lehn s studies of the complementarity of sizes and shapes ofthe cryptand cavities and their guests, and by Cram s preorganization studies. In general, crown ethers and cryptands exhibit analogous complexation behaviour. Thus, similarly to the former host molecules, cryptands in the free, uncomplexed state elongate the vacant cavity by rotating a methylene group inward. Thus, the N...N distance in [2.2.2]-cryptand 54 across the cavity is extended to almost 70 pm [18] whilst, in the complexed...

Dietrich, B., Guilhem, J., Lehn, J.-M., Pascard, C., Sonveaux, E., 11. Molecular recognition in anion coordination chemistry. Structure, binding constants and receptor-substrate complementarity of a series of anion cryptates of a macrobicyclic receptor molecule. Helv. Chlm. Acta 1984, 67, 91-104. 

The key and lock mechanism is widely accepted as a principle of molecular recognition. This concept is based on steric and electronic complementarity between... 

This approach depends on the process of molecular recognition, which is based on the complementarity of the molecular shapes of the host and guest, and is shown schematically in Figure 1. 

In order to develop selective electrodes, it is necessary to introduce specific interactions between the ionophore and the anion of interest. This can be achieved by designing an ion carrier whose structure is complementary to the anion. This type of design can be based on molecular recognition principles, such as the ones that involve complementarity of shape and charge distribution between the ion and the ionophore. 

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