Conformational mimicry

Vector Maps and Conformational Mimicry. Often, one is more interested in accessing the directionality of potential interaction rather than simply looking for overlap of atoms such as the basic nitrogen. In this case, for example, one is interested in determining both the locus of the lone pair of the nitrogen... 

Davey ly, Blagden N, Potts GD, and Docherty R. Polymorphism in Molecular Crystals Stabilization of a Metastable Form by Conformational Mimicry./Am Chem Soc 1997 119 1767-1772. 

Zabrocki, J., Dunbar, J. B. Jr., Marshall, K. W., Toth, M. V., and Marshall, G. R. (1992) Conformational mimicry. Part III. Synthesis and incorporation of 1,5-disubstituted tetrazole dipeptide analogs into peptides with preservation of chiral integrity Brady-kinin./. Org. Cbem. 57, 202-209. 

U., Head, R. D., Kao, J., and Marshall, G. R. (1995) Conformational mimicry Synthesis and solution conformation of a cyclic somatostatin hexapeptide containing a tetrazole cis-amide bond surrogate. Biopolymers 36, 181-200. 

Besides, the molecular comparisons also embrace several critical and vital aspects to expatiate molecular modeling in drug design, such as volume mapping, locus maps, vector maps and conformational mimicry, directionality, and field effects. 

Besides the use of novel fiinctionahty that is beyond rational design by synthetic chemists, nature is unsurpassed at the display of chemical information in three-dimensional space. For example, despite intensive efforts, there is no standard algorithm for translating a linear peptide into a small-molecule peptidomimetic. Meanwhile, numerous natural scaffolds perform this task efficiently, as in the opium alkaloids conformational mimicry of the enkephaUns. We will never know what revolutionary new scaffolds and pharmacophores will be lost if natural product screening is discontinued. 

Davey RJ, Blagden N, Potts GD, Docherty R (1997b) Polymorphism in molecular crystals stabilization of a metastable form by conformational mimicry. J Am Chem Soc 119 1767-1772 Davey RJ, Allen K, Blagden N, Cross WI, Lieberman HF, Quayle MJ, Righini S, Seton L, Tiddy GJT (2002) Crystal engineering-nucleation, the key step. Cryst Eng Comm 4 257-264... 

These results imply that the type of behavior exhibited by a given system is not necessarily an intrinsic property of the system. It may, in fact, be possible in many cases to switch between two types of behavior by control of the reaction conditions, as it is for 124 and 129. In the context of this review the interesting aspect is that in such cases one would be able to determine whether the conformation of the product is determined by structural mimicry in the parent phase or by the intermolecular interactions in the crystal of the product. 

Their reduced mobility allows them to be used in the study and mimicry of protein folding and serve as valuable models for gaining conformational insight into the properties of larger peptides and proteins. ... 

Although abundant evidence supports the existence of snch an antoimmnne phenomenon, the causative event that heralds this self-directed immune-mediated attack remains uncertain. A number of mechanisms have been proposed to afford a molecular-level explanation of autoimmunity. One such explanation is molecular mimicry. Molecular mimicry occurs when a protein associated with a foreign substance bears structural similarities to a protein found in the host. For example, if a person experiences an infection from bacteria, there is a possibility that a protein in the bacterium shares certain similar geometrical and conformational features with a protein already existing in the person. Thus, an immune response directed against the bacteria will cross-react with organs in the host organism. 

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