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Phosphatidylglycerol-DNA complex shown as a stable structure

September 23rd, 2021 Milyausha Ibragimova, Yury Nurmeev
Phosphatidylglycerol-DNA complex shown as a stable structure
Molecular Dynamics of DNA Complexes with Phosphatidylglycerol. The structure of the DNA oligomer (dA)20-(dT)20 with a phosphatidylglycerol molecule in the minor groove as a ligand. The optimization was carried out by molecular docking method using AutoDock in the “vina.exe” application. Credit: Kazan Federal University

A joint research saw light in Biointerface Research in Applied Chemistry.

An interaction of DNA with lipids is of great interest because of their functions. As fatty acids and lipids can specifically bind to nucleic acids forming a code sequence of the genomic DNA, it is important to study the interaction of the oligonucleotide DNA (dA)20-(dT)20 with phosphatidylglycerol by the molecular dynamics method. Molecular docking has shown that these components form a stable complex with 5.8 kcal/mole binding energy, wherein the lipid is located in the DNA minor groove. This configuration marks 354 atom groups separated by a distance less than 3.4 Ǻ. The van der Waals and hydrophobic interactions play the leading part in the DNA-phospholipid complex stabilization along with hydrogen bonds.

For the first time, the interaction between a relatively long part of the DNA molecule and phosphatidylglycerol (as a ligand) along a minor groove of the DNA in aqueous solutions is shown. The structural parameters of the complex of phosphatidylglycerol with DNA are determined; the differences compared with DNA interaction with free fatty acid are explained.

The features of the phosphatidylglycerol molecule location in the double helix of DNA are shown based on the structural peculiarities of this molecule.

More information:
Interfacial Interactions of Phosphatidylglycerol with Oligonucleotide DNA Revealed by Molecular Dynamics Method

biointerfaceresearch.com/wp-co … 5837123.32383246.pdf

Provided by Kazan Federal University

Citation: Phosphatidylglycerol-DNA complex shown as a stable structure (2021, September 23) retrieved 6 June 2025 from https://sciencex.com/wire-news/393848845/phosphatidylglycerol-dna-complex-shown-as-a-stable-structure.html
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