Receptors, artificial selectivity

Hossain, M. A., Schneider, H.-J. (1998). Sequence-selective evaluation of peptide side-chain interaction. New artificial receptors for selective recognition in water, J. Am. Chem. Soc., 120 11208. 

The lock and key principle [1,2] can be regarded as the central principle for molecular recognition in Nature [3]. Supramolecular chemistry mimics Nature e.g. by using artificial receptors for selective recognition [4]. It is fair to say that molecular recognition by synthetic receptors in solution has reached a high level... 

The selectivity and sensitivity of biosensors are governed by the biocatalyst. Commonly used biocatalysts in biosensors are enzymes [10, 11], antibodies [12, 13], whole cells [14], and artificial receptors such as molecularly imprinted polymers [15, 16],... 

Key Words 2D-QSAR traditional QSAR 3D-QSAR nD-QSAR 4D-QSAR receptor-independent QSAR receptor-dependent QSAR high throughput screening alignment conformation chemometrics principal components analysis partial least squares artificial neural networks support vector machines Binary-QSAR selecting QSAR descriptors. 

Figure 6 shows the proposed subunit assembly structure of the nicotinic acetylcholine receptor channel." The inner wall of the lower half part is surrounded by hydroxyl side chains from Ser and Thr, and by carboxylates or amides from Asp, Glu, and Gin at the mouth. Furthermore, a Lys residue seems to offer ion pairing with the carboxylate at the mouth. Considering the possibly similar stabilizing effect of ether and hydroxyl groups to cations, the proposed artificial supramolecular channel could be regarded as a good model of the acetylcholine receptor channel, which selects cations over anions, but does not discriminate between alkali metals. 

The amino acid L-glutamate is the main excitatory neurotransmitter of the central nervous system (Fonnum, 1984). Glutamate exerts its excitatory effects either by activation of several G-protein-coupled metabotropic glutamate receptors or by induction of ion fluxes by different classes of ionotropic receptors. The NMDA receptor is one of those glutamate-gated ion channels which got its name from its selective artificial agonist NMDA (N-methyl-D-aspartate) and which controls slow but persistent ion fluxes of Na+, K+, and Ca2+ across the cell membrane. 

PNU-95666E (116) is a selective and high-affinity artificial agonist at the dopamine D2 receptor subtype and is a potential agent for treating Parkinson s disease. The synthesis of the enantiomerically pure tricyclic structure (186) was achieved by PIFA-induced oxidative cyclization of 185, starting from D-phenyl-alanine [140] (Scheme 49). This methodology was applied to a multikilo scale synthesis. 

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