Bioactive molecular networking
WebThese results exemplify the application of an LC-MS/MS-based multi-informative molecular networking strategy in the discovery and annotation of bioactive compounds from complex mixtures of potential functional food ingredients. ... 11 indole alkaloids and 47 types of quinolone alkaloids were successfully annotated and visualized into three ...
Bioactive molecular networking
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WebApr 8, 2024 · Second, based on a generative adversarial network, we developed a novel molecular filtering approach, MolFilterGAN, to address this issue. By expanding the size of the drug-like set and using a progressive augmentation strategy, MolFilterGAN has been fine-tuned to distinguish between bioactive/drug molecules and those from the … WebJun 2, 2024 · Widespread use of antimicrobial drugs has led to high levels of drug-resistance in pathogen populations and a need for novel sources of anti-bacterial and anti-parasitic compounds. Macroalgae (seaweed) are potentially a rich source of bioactive compounds, and several species have traditionally been used as vermifuges. Here, we …
WebMar 23, 2024 · Bioactive molecular networking is a process to identify potential bioactive compounds in which nodes connected in a molecular network represent related compounds based on MS/MS fragmentation data ... WebApr 8, 2024 · Second, based on a generative adversarial network, we developed a novel molecular filtering approach, MolFilterGAN, to address this issue. By expanding the size …
WebMar 1, 2024 · (C) Bioactive molecular network 1 (MN1) and 2 (MN2) of E. dendroides latex extract and cluster annotations (I−V). See Figure 3 for a detailed view for the cluster V of molecular network 2 (MN2). … WebDec 18, 2024 · Sponges of the Latrunculiidae family produce bioactive pyrroloiminoquinone alkaloids including makaluvamines, discorhabdins, and tsitsikammamines. The aim of this study was to use LC-ESI-MS/MS-driven molecular networking to characterize the pyrroloiminoquinone secondary metabolites produced by six latrunculid species.
WebDec 30, 2024 · Applying the bioactive molecular networking approach, the anticancer activity was linked to glycolipids, namely polyol esters of fatty acid (PEFA) derivatives. We purified four PEFAs (1–4) and the known methyl-2-hydroxy-3-(1H-indol-2-yl)propanoate (5). Their structures were deduced from NMR and HR-MS/MS spectra, but 1–5 showed no …
WebAug 28, 2024 · In this study, we applied the UPLC-QToF-MS/MS-based “bioactive molecular networking” (BMN) concept on the most bioactive n-hexane and n-butanol subextracts of Baltic F. vesiculosus coupled with in silico dereplication tools to identify the compounds responsible for antimicrobial activity. The first antimicrobial cluster identified … daily german practiceWebApr 1, 2024 · The concept of bioactive molecular networking to find candidate active molecules directly from fractionated bioactive extracts to find antiviral compounds from a previously investigated extract of Euphorbia dendroides where the bioactive candidate molecules were not discovered following a classical bioassay-guided fractionation … bio high morflexWebNov 1, 2024 · A bioactive molecular networking strategy has been applied to discovery of bioactive constituents from the fruits of Celastrus orbiculatus Thunb., which … daily getaways 2020WebApr 10, 2024 · Due to the subtle differences in metabolic alterations between DCD groups and T2DM groups, the comprehensive detection of the untargeted metabolic profiles of hippocampus and urine samples of rats was conducted by LC–MS, considering the different ionization modes and polarities of the examined compounds, and feature-based … daily getaways 2021WebOct 23, 2024 · Fig. 1. a Workflow of MS network-based screening of bioactive compounds. b Molecular network generated by integration of data for 1000 microbial metabolomes, from which 41 bioactive samples were ... biohigh lipotrilWebApr 10, 2024 · Broccoli contains bioactive molecules and thus its consumption is related with the prevention of chronic and degenerative diseases. The application of wounding stress to horticultural crops is a common practice, since it is the basis for the fresh-cut produce industry. In this study, the effect of four different cutting styles (CSs) (florets … daily getaways 2022WebOct 22, 2024 · An endophytic fungal strain isolated from a seagrass endemic to the Mediterranean Sea (Posidonia oceanica) was studied in order to identify its antimicrobial constituents and further characterize the composition of its metabolome. It was identified as Fusarium petroliphilum by in-depth phylogenetic analyses. The ethyl acetate extract of … bio high