M. Cotrait

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Many adhesive proteins present in extracellular matrices and in blood contain the tetrapeptide sequence -Arg-Gly-Asp-Ser- (or RGDS) at their cell recognition site. Since this sequence, or similar ones, was found in many proteins involved in major biological mechanisms, conformational investigations were performed on the RGDS fragment. A preliminary review(More)
The three-dimensional structures of [Cys3,6,Tyr8]-, [Gly2,Cys3,6,Tyr8]- and [DCys3,Cys6]substance P, designed as conformational analogues of substance P, have been studied by 1H-NMR (500 MHz) in different solvents and by energy calculations. As previously observed for substance P and physalaemin, two tachykinins acting via the NK-1 receptor,(More)
A theoretical study of homologous series of triphenylene hexaesters and hexaethers, disc-like mesogenic molecules, has been undertaken with semi-empirical methods. Preferential conformations of an isolated molecule, a pair of molecules and a set of molecules have been established For butyl and further homologues, hexaesters give irregular columns, resulting(More)
In the title compound, [Sn(C(3)H(4)F(3))(2)Cl(2)(C(5)H(5)N)(2)], the Sn atom lies on an inversion centre and is octahedrally coordinated by two Cl atoms, two trifluoropropyl groups and two N atoms in an all-trans configuration. The electronegative trifluoropropyl groups increase the electrophilic properties of the Sn atom, and the Sn[bond]Cl and Sn[bond]N(More)
  • M. Cotrait
  • International journal of peptide and protein…
  • 1983
The conformational behaviour of the basic hydrophilic Pro-Arg-Arg-Pro and Arg-Pro-Lys-Pro peptides, neurotensin (NT) and Substance P fragments, has been taken up by semi-empirical calculations. The presence of two Pro residues prevents these peptides from giving any folded structure (alpha helix, beta turn . . .). In both peptides the most stable(More)
A very favorable LUMO energy for cathodic electron injection is found in the crystalline state of the mesogenic red fluorescent perylene derivative 1. It is one of the rare cases where the columnar crystal structure of such a compound could be established directly by X-ray investigation.
The conformational behaviour of the biologically active angiotensinogen (6-13) fragment has been investigated by computer simulations. A large sample of conformers has been generated using the Monte-Carlo procedure, then analysed using classification and partition methods. Seven families can describe the conformational distribution. About 40% of conformers(More)
The conformational behaviour of substance P, physalaemin and eledoisin C-terminal heptapeptides was investigated using empirical energy calculations. Although the conformational distributions of the three heptapeptides are somewhat different, they have a few common low energy conformations. Some of them, which satisfy the structure-activity relationships,(More)