Advanced methods for natural products discovery: bioactivity screening, dereplication, metabolomics profiling, genomic sequencing, databases and informatic tools …

SP Gaudêncio, E Bayram, L Lukić Bilela, M Cueto… - Marine drugs, 2023 - mdpi.com
Natural Products (NP) are essential for the discovery of novel drugs and products for
numerous biotechnological applications. The NP discovery process is expensive and time …

The gut microbial bile acid modulation and its relevance to digestive health and diseases

KA Fogelson, PC Dorrestein, A Zarrinpar, R Knight - Gastroenterology, 2023 - Elsevier
The human gut microbiome has been linked to numerous digestive disorders, but its
metabolic products have been much less well characterized, in part due to the expense of …

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Z Zhou, M Luo, H Zhang, Y Yin, Y Cai, ZJ Zhu - Nature Communications, 2022 - nature.com
Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …

Bacillus subtilis biofilm matrix components target seed oil bodies to promote growth and anti-fungal resistance in melon

MV Berlanga-Clavero, C Molina-Santiago… - Nature …, 2022 - nature.com
Beneficial microorganisms are used to stimulate the germination of seeds; however, their
growth-promoting mechanisms remain largely unexplored. Bacillus subtilis is commonly …

Portosystemic shunt placement reveals blood signatures for the development of hepatic encephalopathy through mass spectrometry

AC Dantas Machado, SF Ramos, JM Gauglitz… - Nature …, 2023 - nature.com
Elective transjugular intrahepatic portosystemic shunt (TIPS) placement can worsen
cognitive dysfunction in hepatic encephalopathy (HE) patients due to toxins, including …

Comparison of cosine, modified cosine, and neutral loss based spectrum alignment for discovery of structurally related molecules

W Bittremieux, R Schmid, F Huber… - Journal of the …, 2022 - ACS Publications
Spectrum alignment of tandem mass spectrometry (MS/MS) data using the modified cosine
similarity and subsequent visualization as molecular networks have been demonstrated to …

MS/MS-based molecular networking accelerated discovery of germacrane-type sesquiterpene lactones from Elephantopus scaber L

W Xu, M Bai, DF Liu, SY Qin, TM Lv, Q Li, B Lin… - Phytochemistry, 2022 - Elsevier
Assisted by an MS/MS-based molecular networking guided strategy, six undescribed
germacrane-type sesquiterpene lactones, namely scaberxones AF, along with a known …

The changing metabolic landscape of bile acids–keys to metabolism and immune regulation

I Mohanty, C Allaband, H Mannochio-Russo… - Nature reviews …, 2024 - nature.com
Bile acids regulate nutrient absorption and mitochondrial function, they establish and
maintain gut microbial community composition and mediate inflammation, and they serve as …

The underappreciated diversity of bile acid modifications

I Mohanty, H Mannochio-Russo, JV Schweer… - Cell, 2024 - cell.com
The repertoire of modifications to bile acids and related steroidal lipids by host and microbial
metabolism remains incompletely characterized. To address this knowledge gap, we …

A multi-task FP-GNN framework enables accurate prediction of selective PARP inhibitors

D Ai, J Wu, H Cai, D Zhao, Y Chen, J Wei… - Frontiers in …, 2022 - frontiersin.org
PARP (poly ADP-ribose polymerase) family is a crucial DNA repair enzyme that responds to
DNA damage, regulates apoptosis, and maintains genome stability; therefore, PARP …