The synthesis and molecular dynamics of phospholipids having hydroxylated fatty acids at the sn-2 position

1990 ◽  
Vol 52 (3-4) ◽  
pp. 217-226 ◽  
Author(s):  
Yisrael Isaacson ◽  
Caroline D. Sherbourne ◽  
Richard W. Gross ◽  
William F. Stenson
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acids ◽  
Hydroxylated Fatty Acids

Characterization of Aeromonas genomic species by using quinone, polyamine, and fatty acid patterns

1994 ◽  
Vol 40 (10) ◽  
pp. 844-850 ◽  
Author(s):  
Peter Kämpfer ◽  
Klaus Blasczyk ◽  
Georg Auling
Keyword(s):  
Fatty Acids ◽  
Fatty Acid ◽  
Octadecenoic Acid ◽  
Hexadecenoic Acid ◽  
Genomic Species ◽  
Great Homogeneity ◽  
Hydroxylated Fatty Acids ◽  
Fatty Acid Patterns ◽  
Chemotaxonomic Study

A chemotaxonomic study was carried out on representative strains of 13 Aeromonas genomic species. Quinone, polyamine, and fatty acid patterns were found to be very useful for an improved characterization of the genus and an improved differentiation from members of the families Enterobacteriaceae and Vibrionaceae. The Q-8-benzoquinone was the predominant ubiquinone, and putrescine and diaminopropane were the major poly amines of the genus. The fatty acid patterns of 181 strains, all characterized by DNA–DNA hybridization, showed a great homogeneity within the genus, with major amounts of hexadecanoic acid (16:0), hexadecenoic acid (16:1), and octadecenoic acid (18:1), and minor amounts of the hydroxylated fatty acids (3-OH 13:0, 2-OH 14:0, 3-OH 14:0) in addition to some iso and anteiso branched fatty acids (i-13:0, i-17:1, i-17:0, and a-17:0). Although some differences in fatty acid profiles between the genomic species could be observed, a clearcut differentiation of all species was not possible.Key words: Aeromonas, polyamines, quinones, fatty acids, differentiation.

Characterization of fatty amides produced by lipase-catalyzed amidation of multi-hydroxylated fatty acids

2008 ◽  
Vol 99 (7) ◽  
pp. 2706-2709 ◽  
Author(s):  
William E. Levinson ◽  
Tsung Min Kuo ◽  
Gerhard Knothe
Keyword(s):  
Fatty Acids ◽  
Fatty Amides ◽  
Hydroxylated Fatty Acids

scholarly journals The Computational Analyses, Molecular Dynamics of Fatty-Acid Transport Mechanism to the CD36 Receptor: The Outcomes of the Mutation K164A on the Binding Domain, Structure and Function

2021 ◽  
Author(s):  
Jihane Akachar ◽  
Catherine Etchebest ◽  
Rachid Eljaoudi ◽  
Azeddine Ibrahimi
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acids ◽  
Fatty Acid ◽  
Palmitic Acid ◽  
Conformational Changes ◽  
Structural Basis ◽  
Fatty Acid Transport ◽  
Acid Uptake ◽  
Wild Type ◽  
Cavity Structure

Abstract The transmembrane glycoprotein CD36, which is responsible of the metabolic disorders, and the elevated intake of fat induces lipid buildup, is a multifunctional scavenger receptor signaling those functions in high-affinity tissue uptake of long-chain fatty acids. In this study, we used series of molecular dynamics simulations of the wild type and mutants types K164A CD36 protein interacting with one Palmitic acid (PLM) besides simulations of the wild type interacting with the three PLM to find out the mechanism of the functioning of the complex CD36/Fatty acids and the unraveling of the role of the mutation. Additionally we determined whether Lys164, mostly exposed to protein surface, played important roles in fatty acid uptake. These simulations revealed, the conformational changes induced by Lys164 residue and the altered interactions induced by the mutagenesis of surface lysine that was badly influencing the folding, utility, solubility, and stability form of the variant. Furthermore, Lys164 residue provided the structural basis of forming an opening at the region of principal portal for the dissociation of palmitic acid. The results of our simulations revealed hole two fatty acids found in CD36 cavity structure and it was the most preferred to CD36 structure stabilization.

scholarly journals Brain fatty acid binding protein exhibits non-preferential and mutation-resistant binding towards fatty acids

2021 ◽  
Author(s):  
Iulia Bodnariuc ◽  
Stefan Lenz ◽  
Margaret Renaud-Young ◽  
Tanille Shandro ◽  
Hiroaki Ishida ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acids ◽  
Fatty Acid ◽  
Molecular Dynamics Simulations ◽  
Nuclear Localization ◽  
Fatty Acid Binding Protein ◽  
Binding Protein ◽  
Fatty Acid Binding ◽  
Acid Binding Protein ◽  
Dynamics Simulations

Members of the fatty acid binding protein (FABP) family function as intracellular transporters of long chain fatty acids and other hydrophobic molecules to different cellular compartments. Brain fatty acid binding protein (FABP7) exhibits ligand-directed differences in cellular transport behavior. For example, when FABP7 binds to docosahexaenoic acid (DHA), the complex relocates to the nucleus and influences transcriptional activity, whereas FABP7 bound with monosaturated fatty acids remain in the cytosol. We used a variety of biophysical techniques to enhance understanding of ligand-directed transport. Specifically, we examine how FABP7 binds to fatty acids, including saturated stearic acid (SA), monounsaturated oleic acid (OA), and polyunsaturated DHA. We find that at 37°C FABP7 has near equivalent binding affinities for the fatty acids, while at lower temperatures, FABP7 exhibits a preference for the unsaturated fatty acids. Therefore, nuclear localization of the FABP7-DHA complex cannot be explained by binding preferences. Using NMR spectroscopy and molecular dynamics simulations, we observe that DHA uniquely affects the portal region of FABP7, which could enhance the complex's nuclear localization. Mutations to purported critical binding residues (R126L and Y128F) have little effect on fatty acid binding, with molecular dynamics simulations revealing that the bound fatty acid can adopt binding poses that can accommodate the mutations.

scholarly journals Interfacial Interactions of Phosphatidylglycerol with Oligonucleotide DNA Revealed by Molecular Dynamics Method

2021 ◽  
Vol 12 (3) ◽  
pp. 3238-3246
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acids ◽  
Genomic Dna ◽  
Hydrophobic Interactions ◽  
Molecular Dynamics Method ◽  
Stable Complex ◽  
Kcal Mole ◽  
Phospholipid Complex ◽  
Dna Minor Groove ◽  
Dynamics Method

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.

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