Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Interaction Metabolomics to Uncover Synergists in Natural Product Mixtures - LCMS Raw Data of Simulated Natural Products Mixtures

ABSTRACT: This file contains the LCMS raw data collected from Thermo Q Exactive Plus instrument and all files are in Thermo RAW files format.

INSTRUMENT(S): Q Exactive Plus

ORGANISM(S): Not Applicable

SUBMITTER: Nadja Cech

PROVIDER: MSV000089598 | MassIVE | Fri Jun 03 10:01:00 BST 2022

REPOSITORIES: MassIVE

ACCESS DATA

Json Xml

Dataset's files

Source:

			Action	DRS
		Other

Items per page:

1 - 1 of 1

Similar Datasets

GNPS - Interaction Metabolomics to Uncover Synergists in Natural Product Mixtures - LCMS Raw Data of Simulated Natural Products Mixtures

Project description:This file contains the LCMS raw data collected from Thermo Q Exactive Plus instrument and all files are in Thermo RAW files format.

2022-06-03 | MSV000089598 | GNPS

Interaction Metabolomics to Uncover Synergists in Natural Product Mixtures - LCMS Raw Data of Natural Botanical Mixtures

Project description:LC-MS raw data for the natural botanical mixtures used in the interaction metabolomics paper, 2023.

2023-02-15 | MSV000091287 | MassIVE

Prospective Collection of PillCam SB3 Videos and Raw Data Files for Future Developments (SODA)

Project description:Observational, Multicenter, Post-market, Minimal risk, Prospective data collection of PillCam SB3 videos (including PillCam reports) and raw data files and optional collection of Eneteroscopy reports

| 2291850 | ecrin-mdr-crc

GNPS - Interaction Metabolomics to Uncover Synergists in Natural Product Mixtures - LCMS Raw Data of Natural Botanical Mixtures

Project description:LC-MS raw data for the natural botanical mixtures used in the interaction metabolomics paper, 2023.

2023-02-15 | MSV000091287 | GNPS

Pseudo Natural Products-Chemical Evolution of Natural Product Structure.

Project description:Pseudo-natural products (PNPs) combine natural product (NP) fragments in novel arrangements not accessible by current biosynthesis pathways. As such they can be regarded as non-biogenic fusions of NP-derived fragments. They inherit key biological characteristics of the guiding natural product, such as chemical and physiological properties, yet define small molecule chemotypes with unprecedented or unexpected bioactivity. We iterate the design principles underpinning PNP scaffolds and highlight their syntheses and biological investigations. We provide a cheminformatic analysis of PNP collections assessing their molecular properties and shape diversity. We propose and discuss how the iterative analysis of NP structure, design, synthesis, and biological evaluation of PNPs can be regarded as a human-driven branch of the evolution of natural products, that is, a chemical evolution of natural product structure.

| S-EPMC8360037 | biostudies-literature

Natural product fragment combination to performance-diverse pseudo-natural products.

Project description:Natural product structure and fragment-based compound development inspire pseudo-natural product design through different combinations of a given natural product fragment set to compound classes expected to be chemically and biologically diverse. We describe the synthetic combination of the fragment-sized natural products quinine, quinidine, sinomenine, and griseofulvin with chromanone or indole-containing fragments to provide a 244-member pseudo-natural product collection. Cheminformatic analyses reveal that the resulting eight pseudo-natural product classes are chemically diverse and share both drug- and natural product-like properties. Unbiased biological evaluation by cell painting demonstrates that bioactivity of pseudo-natural products, guiding natural products, and fragments differ and that combination of different fragments dominates establishment of unique bioactivity. Identification of phenotypic fragment dominance enables design of compound classes with correctly predicted bioactivity. The results demonstrate that fusion of natural product fragments in different combinations and arrangements can provide chemically and biologically diverse pseudo-natural product classes for wider exploration of biologically relevant chemical space.

| S-EPMC7994817 | biostudies-literature

Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds.

Project description:Peptidyl-proline isomerases (PPIases) are a chaperone superfamily comprising the FK506-binding proteins (FKBPs), cyclophilins, and parvulins. PPIases catalyze the cis/trans isomerization of proline, acting as a regulatory switch during folding, activation, and/or degradation of many proteins. These "clients" include proteins with key roles in cancer, neurodegeneration, and psychiatric disorders, suggesting that PPIase inhibitors could be important therapeutics. However, the active site of PPIases is shallow, solvent-exposed, and well conserved between family members, making selective inhibitor design challenging. Despite these hurdles, macrocyclic natural products, including FK506, rapamycin, and cyclosporin, bind PPIases with nanomolar or better affinity. De novo attempts to derive new classes of inhibitors have been somewhat less successful, often showcasing the "undruggable" features of PPIases. Interestingly, the most potent of these next-generation molecules tend to integrate features of the natural products, including macrocyclization or proline mimicry strategies. Here, we review recent developments and ongoing challenges in the inhibition of PPIases, with a focus on how natural products might inform the creation of potent and selective inhibitors.

| S-EPMC5501181 | biostudies-literature

Transcriptome information of RAW-Rv3722c and RAW-Vector cell lines

Project description:RAW-Rv3722c and RAW-Vector cells were collected for RNA extraction and subject to transcriptome sequencing. Expression levels of all genes in the two cell lines were determined by Next Generation Sequencing (NGS)

2021-01-01 | GSE157419 | GEO

RawTools Parsing of Orbitrap Raw Data Files - HeLa subset analysis

Project description:RawTools is a software that provides parsing and quantification of raw Thermo Orbitrap mass spectrometer data. RawTools software was used to process a subset of injections (n = 10) from a prepared HeLa digest that were analyzed on an Orbitrap Velos to get instrument performance metrics.

2018-09-18 | PXD011070 | Pride

Gene expression in ABHD5-KD RAW cells or RAW cell-primed CT-26 cells

Project description:RAW cells,ABHD5-KD RAW cells or those macrophage-primed CT-26 cells were subjected to microarray assays.Each group contain 3 samples.

2019-08-11 | GSE135673 | GEO

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data