Biopolymers and cell. 1990. Volume 6. № 6. 48 - 52

S. G. Galaktionov, V. M. Tseytin, I. A. Vakser

COMPUTER-AIDED DESIGN OF BIOLOGICALLY ACTIVE PEPTIDES: SOME NEW POSSIBILITIES

Summary

    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 mole¬cule, immersed into lipid phase, in the so-called «biologically active* conformation. There¬fore, it is possible to make analogs with enhanced affinity to receptor; this possibility is exemplified by newly-constructed carba-analog of angiotensin.