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Pocket-shaped ligand

The smaller p -tert-butyl-calix [4] arenes have a rich coordination chemistry as well (65). Of these, however, only the upper-rim modified calixarenes seem to support metal complexes with confined binding sites (66), except in those cases where the lower-rim substituents form an appended cavity. Thus, Matt and coworkers have reported (67) a pocket-shaped calix[4]arene ligand L2 bearing two lower-rim [([Pg.410]

Morris RRJ, Najmanovich RRJ, Kahraman A et al (2005) Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons. Bioinformatics (Oxford, England) 21 2347-2355... [Pg.161]

It would have been impossible to identify the ligand in Figure 7.1(b) with the pocket shape suggested by the pocket extraction software. This example illustrates some of the potential pitfalls of automated receptor-based techniques. [Pg.219]

Enantioselectivity in this process arises from reaction of the alkene and osmium tetroxide within an asymmetric environment created by the ligand. However, the precise shape of this binding pocket and the nature of the interactions between the substrate and ligand has been the subject of some debate. Corey has advanced a model based on a U-shaped ligand conformation initially derived from an inspection of molecular models while Sharpless has proposed an L-shaped active site based on the results of molecular mechanics studies. [Pg.119]

A template approach has been invoked by Stack et al. to immobilize a metastable [Fe"(OTf)2(phen )2] (phen , substituted 9,10-phenanthroline) complex 12 in a preformed binding pocket shaped by a thermodynamically stable [Cu(phen )2] template. After replacing Cu+ by Fe +, the iron(II)-containing polymer 12 was obtained. A [Fe (OTf)2(phen )2] intermediate is unstable in a homogeneous solution and rapidly leads to the tris(chelate) [Fe(phen )3] + complex and Fe + ions [21]. Thus, the matrix prevents ligand scrambling and again kinetically stabilizes a metastable species by site isolation. [Pg.425]

These NOE studies teach us that many successful P (or N...etc) auxiliaries possess a relatively rigid and intrusive chiral pocket [105, 107]. The shape of this pocket is a function of the individual chelate ligand, i. e., there is no one successful shape. [Pg.26]

In previous work, Corey used the free base form of 34 as an effective chiral ligand in the Os04-promoted dihydroxylation of olefins [90]. He later found that ammonium salt 34 catalyzed the addition of HCN to aromatic N-allyl imines (Scheme 5.50) [91]. The U-shaped pocket of the catalyst is essential in fixing the orientation of the hydrogen-bonded activated aldimine via n-n interactions. [Pg.108]

To explain the high enantioselectivity of the AD with the PHAL ligand in such a stepwise process. Sharpless proposed the formation of arrangement 12 with an L-shaped binding pocket that is built up by the phthalazine and one of the methoxyquinolines [26]. [Pg.403]


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See also in sourсe #XX -- [ Pg.2 ]




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