Biopolym. Cell. 1990; 6(6):48-52.
Computer-aided design of biologically active peptides: some new possibilities
1Galaktionov S. G., 1Tseytin V. M., 1Vakser I. A.
  1. All-Union Research Institute of Microbiological Industry
    Minsk, USSR


Algorithms for the calculation of peptide molecules stable conformation on the "water-non-polar phase" boundary has been developed. Since many biologically active peptides are supposed to interact with specific receptors mainly due to hydrophobic forces, the model of receptor binding site can be obtained as a mould of the hydrophobic part of the molecule, immersed into lipid phase, in the so-called "biologically active" conformation. Therefore, it is possible to make analogs with enhanced affinity to receptor; this possibility is exemplified by newly-constructed carba-analog of angiotensin.


[1] Nikiforovitch GV, Galaktionov SG, Chipens GI. Conformations peptide bioregulators. M.: Medicine, 1983. 192 p.
[2] Lau SH, Rivier J, Vale W, Kaiser ET, KГ©zdy FJ. Surface properties of an amphiphilic peptide hormone and of its analog: corticotropin-releasing factor and sauvagine. Proc Natl Acad Sci U S A. 1983;80(23):7070-4.
[3] Gysin B, Schwyzer R. Liposome-mediated labeling of adrenocorticotropin fragments parallels their biological activity. FEBS Lett. 1983;158(1):12-6.
[4] Nikiforovich GV, Leonova VI, Galaktionov SG, Chipens GI. Theoretical conformational analysis of oxytocin molecule. Int J Pept Protein Res. 1979;13(4):363-73.
[5] Hopfinger AJ, Battershell RD. Application of SCAP to drug design. 1. Prediction of octanol-water partition coefficients using solvent-dependent conformational analyses. J Med Chem. 1976;19(5):569-73.
[6] Structure and function of low molecular weight peptides. Zinatne, Riga, 1980. 327 p.