Metabolic Consequences of Alcohol Consumption

Wartburg, Jean‐Pierre von

doi:10.1159/000175760

Cited by 3 publications

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

On the inhibition of alcohol dehydrogenase: Shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives

Rozas

Arteca

Mezey

1991

Int. J. Quantum Chem.

View full text Add to dashboard Cite

The assessment of molecular similarity between molecules is a fundamental task in computer-aided drug design. In this work, we have applied a combined analysis of steric and electrostatic properties of a series of inhibitors of liver alcohol dehydrogenase ( LADH) to rationalize their action. The methodology is based on a topological characterization of the distribution of molecular electrostatic potential (MEP) on the fused-sphere van der Waals surface of a molecule. The topological description can be rendered in the form of two-dimensional diagrams that allow a quick visual or algorithmic analysis of the most relevant shape features of a molecule. By using the representations mentioned above (topological information as a function of the MEP), one can correlate this "structural" information with the values of inhibition constants K, for compounds with different levels of inhibitory activity. This approach allows one to have quantitative measures of similarity for related molecules and to eventually propose compounds that may exhibit a desired activity. The compounds analyzed in this work are a series of substituted derivatives of pyrazole, which span a relatively wide range of inhibitory powers. We have studied the role of the nature of the substituent, as well as its substitutional position, on the molecular shape and correlated these findings with the activity of each compound. Some consequences on the mechanism of inhibition of LADH are also discussed.

show abstract

On the inhibition of alcohol dehydrogenase: Shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives

Rozas

Arteca

Mezey

1991

Int. J. Quantum Chem.

View full text Add to dashboard Cite

show abstract

Biochemistry and Functions of the Liver

Kuntz¹,

Kuntz²

2002

Hepatology

View full text Add to dashboard Cite

Dietary Patterns Are Associated with Serum Metabolite Patterns and Their Association Is Influenced by Gut Bacteria among Older German Adults

Oluwagbemigun

Foerster

Watkins

et al. 2020

The Journal of Nutrition

View full text Add to dashboard Cite

Background Although dietary intakes and dietary intake patterns (DPs) have been associated with single metabolites, it is unclear whether DPs are also reflected in specific metabolite patterns (MPs). Moreover, the influence of groups of gut bacteria on the relationship between DPs and MPs is underexplored. Objectives We aimed to investigate the association of DPs and serum MPs and also the modifying effect of the gut bacteria compositional patterns (BCPs). Methods This is a cross-sectional investigation among 225 individuals (median age: 63 y; 53% women) from the European Prospective Investigation into Cancer and Nutrition study. Dietary intakes were assessed by three 24-h dietary recalls, gut bacteria composition was quantified by 16S rRNA gene sequencing, and the serum metabolome was profiled by an untargeted approach. We identified DPs and BCPs by the treelet transform analysis. We modeled associations between DPs and 8 previously published MPs and the modifying effect of BCPs by fitting generalized linear models using DataSHIELD R. Results We identified 5 DPs and 7 BCPs. The “bread, margarine, and processed meat” and “fruiting vegetables and vegetable oils” DPs were positively associated with the “amino acids” (β = 0.35; 95% CI: 0.02, 0.69; P = 0.03) and “fatty acids” MPs (β = 0.45; 95% CI: 0.16, 0.74; P = 0.01), respectively. The “tea and miscellaneous” was inversely associated with the “amino acids” (β = −0.28; 95% CI: −0.52, −0.05; P = 0.02) and “amino acid derivatives” MPs (β = −0.21; 95% CI: −0.39, −0.02; P = 0.03). One BCP negatively modified the association between the “bread, margarine, and processed meat” DP and the “amino acids” MP (P-interaction = 0.01). Conclusions In older German adults, DPs are reflected in MPs, and the gut bacteria attenuate 1 DP–MP association. These MPs should be explored as biomarkers of these jointly consumed foods while taking into account a potentially modifying role of the gut bacteria.

show abstract

Metabolic Consequences of Alcohol Consumption

Cited by 3 publications

References 22 publications

On the inhibition of alcohol dehydrogenase: Shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives

On the inhibition of alcohol dehydrogenase: Shape group analysis of molecular electrostatic potential on van der Waals surfaces for some pyrazole derivatives

Biochemistry and Functions of the Liver

Dietary Patterns Are Associated with Serum Metabolite Patterns and Their Association Is Influenced by Gut Bacteria among Older German Adults

Contact Info

Product

Resources

About