SIMULATION AND COMPUTER STUDY OF THE CHIRAL PROPERTIES OF PEPTIDE NANOTUBES BASED ON DILEUCINE-Reference-Cited by-同舟云学术

SIMULATION AND COMPUTER STUDY OF THE CHIRAL PROPERTIES OF PEPTIDE NANOTUBES BASED ON DILEUCINE

Published:2024-06-06 Issue:4 Volume:8 Page:424-428
ISSN:2499-9962
Container-title:Russian Journal of Biological Physics and Chemisrty
language:en
Short-container-title:

Author:

Bystrov V.¹,Filippov S.¹,Likhachev I.¹,Ledeneva O.²,Belova E.²

Affiliation:

1. Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics of RAS

2. Lomonosov Moscow State University

Abstract

The paper presents calculations of the dipole, polar, and electronic properties of helical nanostructures based on dileucine (LL) of different chirality (L, D) using the AM1, PM3 methods from the HyperChem software package. It has been shown that the physical properties of dileucine-based nanotubes are close to those of diphenylalanine nanotubes (FF PNT). For nanostructures based on dileucine of left chirality L-LL, the existing experimental data make it possible to isolate from crystallographic structures molecular nanostructures of helical nanotubes that have right chirality D, which corresponds to the law of chirality change upon transition to the next level of self-organization. Model helical structures of nanotubes based on dileucine of right chirality D-LL were also constructed, for which there are no experimental data. Calculations of chirality by the method of mixed vector-scalar product of dipole moments of dipeptides showed that the law of changing the type of chirality is also valid for model helical nanotubes based on the D-LL. These results can be the basis for the synthesis of new experimental nanostructures based on right-handed dipeptides.

Publisher

RIOR Publishing Center

Reference14 articles.

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