Lipostar, a comprehensive platform-neutral cheminformatics tool for lipidomics
L Goracci, S Tortorella, P Tiberi, RM Pellegrino… - Analytical …, 2017 - ACS Publications
To date, the main limitations for LC-MS-based untargeted lipidomics reside in the lack of
adequate computational and cheminformatics tools that are able to support the analysis of …
adequate computational and cheminformatics tools that are able to support the analysis of …
Deep learning to predict the formation of quinone species in drug metabolism
TB Hughes, SJ Swamidass - Chemical research in toxicology, 2017 - ACS Publications
Many adverse drug reactions are thought to be caused by electrophilically reactive drug
metabolites that conjugate to nucleophilic sites within DNA and proteins, causing cancer or …
metabolites that conjugate to nucleophilic sites within DNA and proteins, causing cancer or …
Structure–metabolism relationships in human-AOX: Chemical insights from a large database of aza-aromatic and amide compounds
S Lepri, M Ceccarelli, N Milani… - Proceedings of the …, 2017 - National Acad Sciences
Aldehyde oxidase (AOX) is a metabolic enzyme catalyzing the oxidation of aldehyde and
aza-aromatic compounds and the hydrolysis of amides, moieties frequently shared by the …
aza-aromatic compounds and the hydrolysis of amides, moieties frequently shared by the …
Plant organ cultures as masked mycotoxin biofactories: Deciphering the fate of zearalenone in micropropagated durum wheat roots and leaves
“Masked mycotoxins” senso strictu are conjugates of mycotoxins resulting from metabolic
pathways activated by the interplay between pathogenic fungi and infected plants …
pathways activated by the interplay between pathogenic fungi and infected plants …
Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine
P De Deurwaerdère, C Binda, R Corne… - ACS Chemical …, 2017 - ACS Publications
The regulation of brain monoamine levels is paramount for cognitive functions, and the
monoamine oxidase (MAO A and B) enzymes play a central role in these processes. The …
monoamine oxidase (MAO A and B) enzymes play a central role in these processes. The …