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271.
Disulfide cyclization is a well-known procedure to impose conformational restriction to peptides undergoing backbone flexibility. Rigid conformations are induced only for small rings with a specific combination of amino acids. In this work, we present a computational search of the backbone and backbone-dependent side-chain orientation of two series of linear and cyclic peptide analogs. The -C[XY]C- scaffold (where X,Y is arginine, aspartic acid or alanine residue) in its open and (S,S) cyclic form was used for the design of the studied analogs. Thirty-six compounds, resulting from the extension with one residue at either the N- or the C-terminus were studied with classical MD. The local backbone conformation and the relative orientation of the X and Y side chains induced by either cyclization and/or the presence of the charged residues are discussed. From the present study it is concluded that cyclization has a great impact on the synplanar orientation of the X and Y side chains in the (S,S)Ac-XCYC-NH2 series of compounds while charge-charge interaction has only a weak synergic effect. On the contrary, the antiplanar orientation is favored in the case of (S,S)Ac-CXCY-NH2. 相似文献
272.
Vassilios Tsikaris Evangelos Detsikas Maria Sakarellos-Daitsiotis Constantinos Sakarellos Efstratia Vatzaki Socrates J. Tzartos Michel Marraud Manh Thong Cung 《Biopolymers》1993,33(7):1123-1134
The conformational properties of two [D -A70, A76] and [Aib70, A76] analogues of the α67–76 Torpedo acetylcholine receptor fragment, with low binding capacity for the anti main immunogenic region (MIR) antibodies, were studied in DMSO by two-dimensional nmr techniques and molecular dynamics simulations. The results were compared to the free and bound conformations of the [A76] analogue, which has twice more affinity for the anti-MIR monoclonal antibody 6 (mAb6), than the natural Torpedo sequence. It appeared that a single substitution of the A70, at a crucial position, by the D -A70 or Aib70, could modify completely the conformational behavior of the peptide and reduced its recognition by the anti-MIR antibody. The WNPADY rigid structure at the N-terminal part was essential for antibody recognition. The adjacent more flexible C-terminal sequence (GGIK) gives additional stability to the monoclonal antibody–peptide complex probably due to an adequate orientation of the peptide side chains in the complex, by setting them in close contact with the antibody. © 1993 John Wiley & Sons, Inc. 相似文献
273.
Deficiency in the α1 subunit of Na+/K+‐ATPase Enhances the Anti‐Proliferative Effect of High Osmolality in Nucleus Pulposus Intervertebral Disc Cells
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274.
The adult rat Sertoli cell secretes a factor that stimulates the Leydig cell aromatase activity via protein synthesis, at a step beyond the adenylate cyclase. This factor is of proteic nature, species and tissue specific, different from the Sertoli cell LHRH-like compound, and the germ cells exert a negative control on its synthesis. 相似文献
275.
Athanassios Stavrakoudis Ioannis N. Demetropoulos Constantinos Sakarellos Maria Sakarellos-Daitsiotis Vassilios Tsikaris 《International journal of peptide research and therapeutics》1997,4(4-6):481-487
Summary The design, synthesis and catalytic properties of a cyclic branched peptide carrier that possesses the catalytic triad residues
of the serine proteases is reported. The synthesis of the peptide model was totally completed on solid support using three
different orthogonal amino protecting groups. Hydrolytic activity measurements against Suc-Ala-Ala-Ala-pNA substrate showed
that it is hydrolysed by the peptide model to a small extent. Despite this small hydrolytic activity, it is the first time,
to our knowledge, that hydrolysis of such a substrate is reported by an enzyme model compound. Contrary, this enzyme model
peptide showed considerable activity against the Boc-Ala-pNP substrate (k
cat
=0.414 min−1 andK
m
=0.228 mm). These results suggest that the designed carrier brings in appropriate contact the catalytic triad residues (Ser,
His, Asp) resulting in the obtained hydrolytic activity. 相似文献