INCLIVA Biomedical Research Institute
Published March 30, 2026 | Version v1
Dataset Embargoed

Data related to the chemical part of the project: spectroscopic and spectrometric data for the structural elucidation of the molecules, as well as the spectrometric data of ceramide-type biomarkers

Authors/Creators

  • 1. University of Valencia
  • 2. ROR icon INCLIVA Health Research Institute
  • 3. Hospital Clínico Universitario
  • 4. ROR icon Universitat de València

Description

The dataset generated in this project consists of the spectra necessary for the structural elucidation of the synthesized molecules and ceramide-type molecules as biomarkers. It includes raw data and processed data for visualization.

1) NMR Spectra: Nuclear Magnetic Resonance (NMR) data. Includes: ¹H, ¹³C, DEPT, COSY, HSQC, HMBC, and other 2D experiments used in structural characterization. Formats: native spectrometer formats (Bruker/Varian directories), and/or processed data: FID files exported for analysis. Content: spectral signals, acquisition parameters, and instrumental metadata.

2) LC-MS Spectra: ESI-MS: raw data in .lcd format (Shimadzu), including complete spectra, relative intensities, instrumental parameters, and metadata.

3) LC-MS_Cer Spectra: UHPLC-mass spectrometry (MS) data relating to ceramides in mouse plasma. ESI-MS: Primary data in .lcd (Shimadzu) format, including full spectra, relative intensities, instrumental parameters, and metadata.

Abstract

The main objective of this project is the development of new multitarget compounds with chromane and/or quinoline nucleus as modulators of both PPAR and LXR (partial agonists with dual PPARα/γ, PPARδ/γ or panPPAR, and LXRβ-selective) as well as modulators of specific ceramide biomarkers to manage MetS, DM2, atherogenic dyslipidemia and/or NAFLD, and shed some light on ceramide role as potential lipid biomarkers and therapeutic targets. 

Files

Embargoed

The files will be made publicly available on February 6, 2028.

Additional details

Related works

Is described by
Journal article: 10.1016/j.bioorg.2025.108450 (DOI)
Journal article: 10.1016/j.ejmech.2024.116125 (DOI)
Journal article: 10.1016/j.bmcl.2024.129770 (DOI)
Journal article: 10.1016/j.phrs.2022.106638 (DOI)
Journal article: 10.1016/j.bmc.2021.116532 (DOI)

Funding

Instituto de Salud Carlos III
Acción Estratégica de Salud 2021 PI21/02045

Dates

Created
2022-01-01/ 2025-12-31
Experimental phase