Molecular anchors

Rejto, P. A., Verkhivker, G. M. (1998) Molecular anchors with large stability gaps ensure linear binding free energy relationships for hydrophobic substituents. Pacific Symp Biocomput 1998, 362-373. 

Brown, A.P. and Anson, F.C. (1977). Molecular anchors for the attachment of metal complexes to graphite electrode surfaces./. Electroanal. Chem., 83, 203-7. 

Third, it is not so much the enthalpy contributions but entropic aspects that determine the suitability of fragments to serve as anchors for lead optimization. Molecular anchors show an energetic stability gap between the best binding conformation and the second-best binding mode. 

Unraveling principles of lead discovery from unfrustrated energy landscapes to novel molecular anchors, Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 8945-8950. 

The use of xyloglucan as a molecular anchor constitutes an alternative approach to cellulose grafting through ATRP, as sketched in Scheme 18.5 [65]. 

Fifield L S, Dalton L R, Addleman R S, Galhotra R A, Engelhard M H, Fryxell G E and Aardahl C L (2004) Noncovalent functionalization of carbon nanotubes with molecular anchors using supercritical fluids, J Phys Chem B 108 8737-8741. 

In the two-dimensional theory of the threshold for an electrohydrodynamic instability, developed by Pikin [49] and Penz and Ford [50], the velocity of the liquid and the director are regarded as being dependent on both the X- and -coordinates. Solutions are sought which satisfy the conditions of strong molecular anchoring at the electrodes under the following conditions for a planar orientation 6 = 0, = 0, Vz = 0, dvzidz = 0, when... 

Based on the analysis of the DPP-IV ciystal stmctures [90-%] and the interpretation of the stracmre-activity relationship data, both the lipophiUc S, pocket and the Glu205/Glu206 (fyad can be considered as cmcial molecular anchors for DPP-IV inhibition [78], Moreover, this conclusion is supported by results derived from two different energetic pharmacophores [97,98] obtained by our group that have quantified the relative contribution of the different pharmacophore sites to the intermo-lecular interactions with DPP-IV. The first energetic pharmacophore was built from the PDB stracture of ten complexes of DPP-IV with potent (ICj values < 10 nM) reversible inhibitors of a nonpeptide nature (Fig. 7.3a) [99]. This study showed that... 

Several approaches for the molecular anchoring of MN4-MC and hybrid materials on different types of electrodes have been described to obtain chemically modified electrodes (CME). The following are some of the most employed methods for the fabrication of CME with MN4-MC ... 

Fig. 13 General approaches to immobilize porphyrin-TATA on gold. Idealized picture of a self-assembled monolayer of thiols anchoring macrocyclic molecules using 4-mercaptopyridine bridging molecular anchors (right). Schematic diagram of the structure of BePc-Py-CNTs composite...

Due to their axially directed terminal bonds and rigid cage structures, polyhedral boron hydrides offer a unique opportunity in the area of molecular engineering for their potential application as a molecular anchor between two or more active reaction centers [351-354]. In this context, homo- and hetero- substituted derivatives with substituents attached to the antipodal positions of the 10- and 12-vertex borane clusters are of a great interest. Syntheses of antipodally substituted boranes and carboranes have been revieved recently [355]. Another attracting attention feature is electronic properties of polyhedral boron hydrides. Through-... 

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