Comparative conformational analysis of peptide T analogs

Akverdieva, G. A.; Godjayev, N. M.; Akyüz, Sevim

doi:10.1016/j.molstruc.2008.06.028

Cited by 2 publications

(2 citation statements)

References 28 publications

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“…There are the differences in the electronic structure between two characteristic conformations of peptide T, which play an important role in the interactions of this molecule with receptor and environment. The received results are coordinated with the results of the conformational analysis of this peptide [7,[9][10] according to which cyclic conformation is steadier. The investigations of electronic and conformational properties of biomolecules can appear an important basis for additional correlation of the spatial structure and structure-functional interactions of these molecules and may be useful in the design of a new synthetic peptides with selective activities…”

Section: Calculations and Resultsmentioning

confidence: 98%

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Application of computer programms in investigation of spatial structure of biomolecules

Akverdieva

2013

2013 7th International Conference on Application of Information and Communication Technologies

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The possibilities of the theoretical study of the spatial structure of biomolecules using a computer technology advances are demonstrated on the example of the peptide T that can be therapeutically effective at patients with AIDS. The calculations of the conformational profiles of this molecule were carried out by the theoretical conformational analysis method. With using of a semiempirical quantum mechanical method the basic electronic characteristics of a peptide Т are established. The conducted research has allowed to explain distinctions of two conformations corresponding to a spatial organization of this molecule, and also to predict the realization any of them

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Section: Calculations and Resultsmentioning

confidence: 98%

“…A series of peptide T analogs were investigated within the molecular mechanics framework [10]. The received data permit to assess the active form of this peptide.…”

Section: Calculations and Resultsmentioning

confidence: 99%