Using MetaboAnalyst 5.0 for LC–HRMS spectra processing, multi-omics integration and covariate adjustment of global metabolomics data

Z Pang, G Zhou, J Ewald, L Chang, O Hacariz… - Nature protocols, 2022 - nature.com
Liquid chromatography coupled with high-resolution mass spectrometry (LC–HRMS) has
become a workhorse in global metabolomics studies with growing applications across …

Small molecule metabolites: discovery of biomarkers and therapeutic targets

S Qiu, Y Cai, H Yao, C Lin, Y **e, S Tang… - Signal Transduction and …, 2023 - nature.com
Metabolic abnormalities lead to the dysfunction of metabolic pathways and metabolite
accumulation or deficiency which is well-recognized hallmarks of diseases. Metabolite …

DrugBank 6.0: the DrugBank knowledgebase for 2024

C Knox, M Wilson, CM Klinger, M Franklin… - Nucleic acids …, 2024 - academic.oup.com
First released in 2006, DrugBank (https://go. drugbank. com) has grown to become the 'gold
standard'knowledge resource for drug, drug–target and related pharmaceutical information …

MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation

Z Pang, Y Lu, G Zhou, F Hui, L Xu, C Viau… - Nucleic acids …, 2024 - academic.oup.com
We introduce MetaboAnalyst version 6.0 as a unified platform for processing, analyzing, and
interpreting data from targeted as well as untargeted metabolomics studies using liquid …

Multi-omics profiling for health

M Babu, M Snyder - Molecular & Cellular Proteomics, 2023 - mcponline.org
The world has witnessed a steady rise in both non-infectious and infectious chronic
diseases, prompting a cross-disciplinary approach to understand and treating disease …

MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics

Z Pang, L Xu, C Viau, Y Lu, R Salavati, N Basu… - Nature …, 2024 - nature.com
The wide applications of liquid chromatography-mass spectrometry (LC-MS) in untargeted
metabolomics demand an easy-to-use, comprehensive computational workflow to support …

Acylcarnitines: nomenclature, biomarkers, therapeutic potential, drug targets, and clinical trials

M Dambrova, M Makrecka-Kuka, J Kuka… - Pharmacological …, 2022 - Elsevier
Acylcarnitines are fatty acid metabolites that play important roles in many cellular energy
metabolism pathways. They have historically been used as important diagnostic markers for …

Applications of multi‐omics analysis in human diseases

C Chen, J Wang, D Pan, X Wang, Y Xu, J Yan… - MedComm, 2023 - Wiley Online Library
Multi‐omics usually refers to the crossover application of multiple high‐throughput screening
technologies represented by genomics, transcriptomics, single‐cell transcriptomics …

[HTML][HTML] Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery

R Han, H Yoon, G Kim, H Lee, Y Lee - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

A deep learning method for predicting metabolite–disease associations via graph neural network

F Sun, J Sun, Q Zhao - Briefings in bioinformatics, 2022 - academic.oup.com
Metabolism is the process by which an organism continuously replaces old substances with
new substances. It plays an important role in maintaining human life, body growth and …