A5002397695- Metabolomics and Mass Spectrometry Studies
- Computational Drug Discovery Methods
- Bioinformatics and Genomic Networks
- Cholesterol and Lipid Metabolism
- Diet and metabolism studies
- Gut microbiota and health
- Liver Disease Diagnosis and Treatment
- Sphingolipid Metabolism and Signaling
- Cancer, Hypoxia, and Metabolism
- Fatty Acid Research and Health
- Nutritional Studies and Diet
- DNA and Nucleic Acid Chemistry
- Microbial Natural Products and Biosynthesis
- Adipose Tissue and Metabolism
- Protein Structure and Dynamics
- Analytical Chemistry and Chromatography
- IL-33, ST2, and ILC Pathways
- Biopolymer Synthesis and Applications
- Cell Image Analysis Techniques
- Inflammasome and immune disorders
- Ginseng Biological Effects and Applications
- RNA and protein synthesis mechanisms
- Electrostatics and Colloid Interactions
- Pharmacological Effects of Natural Compounds
- Multiple Sclerosis Research Studies
University of Cambridge
2012-2024
Imperial College London
2021-2022
Ipsen (France)
2022
University of Cagliari
2012-2021
Istituto Nazionale di Fisica Nucleare, Sezione di Cagliari
2016
Unilever (United Kingdom)
2012-2014
Inflammatory bowel disease (IBD) is a chronic inflammatory of the gastrointestinal tract uncertain origin, which includes ulcerative colitis (UC) and Crohn's (CD). The composition gut microbiota may change in IBD affected individuals, but whether dysbiosis cause or consequence processes intestinal tissue still unclear. Here, metabolites stool 183 subjects (82 UC, 50 CD, 51 healthy controls) were determined. content microbiological profiles significantly different between subjects. In group,...
Elevated interleukin (IL)-1β levels, NLRP3 inflammasome activity, and systemic inflammation are hallmarks of chronic metabolic inflammatory syndromes, but the mechanistic basis for this is unclear. Here, we show that levels plasma IL-1β lower in fasting compared to fed subjects, while lipid arachidonic acid (AA) elevated. Lipid profiling NLRP3-stimulated mouse macrophages shows enhanced AA production an NLRP3-dependent eicosanoid signature. Inhibition cyclooxygenase by nonsteroidal...
Analysis of oxylipins by liquid chromatography mass spectrometry (LC/MS) is challenging because the small range occupied this diverse lipid class, presence numerous structural isomers, and their low abundance in biological samples. Although highly sensitive LC/MS/MS methods are commonly used, further separation achievable using drift tube ion mobility coupled with high-resolution (DTIM-MS). Herein, we present a combined analytical computational method for identification fatty acids. We use...
Genome-wide association studies (GWASs) have identified genetic loci associated with the risk of Alzheimer’s disease (AD), but molecular mechanisms by which they confer are largely unknown. We conducted a metabolome-wide study (MWAS) AD-associated from GWASs using untargeted metabolic profiling (metabolomics) ultraperformance liquid chromatography–mass spectrometry (UPLC-MS). an lactosylceramides (LacCer) AD-related single-nucleotide polymorphisms (SNPs) in ABCA7 ( P = 5.0 × 10 −5 to 1.3 −44...
Data processing is one of the biggest problems in metabolomics, given high number samples analyzed and need multiple software packages for each step workflow. Merge same platform steps required metabolomics data processing. KniMet a workflow mass spectrometry-metabolomics based on KNIME Analytics platform. The approach includes key to follow processing: feature filtering, missing value imputation, normalization, batch correction annotation. provides user with local, modular customizable both...
BACKGROUND. Dietary changes have led to the growing prevalence of type 2 diabetes and nonalcoholic fatty liver disease. A hallmark both disorders is hepatic lipid accumulation, derived in part from increased de novo lipogenesis. Despite popularity high-protein diets for weight loss, effect dietary protein on lipogenesis poorly studied. We aimed characterize synthesis.
Alzheimer's disease (AD) is a highly prevalent neurodegenerative disorder. Despite increasing evidence of the importance metabolic dysregulation in AD, underlying changes that may impact amyloid plaque formation are not understood, particularly for late-onset AD. This study analyzed genome-wide association studies (GWAS), transcriptomics, and proteomics data obtained from several repositories to obtain differentially expressed (DE) multi-omics elements mouse models We characterized...
Cancer remains a fundamental burden to public health despite substantial efforts aimed at developing effective chemotherapeutics and significant advances in chemotherapeutic regimens. The major challenge anti-cancer drug design is selectively target cancer cells with high specificity. Research into treating malignancies by targeting altered metabolism supported computational approaches, which can take leading role identifying candidate targets for therapy as well assist the discovery...
Integrating gene expression profiles with certain proteins can improve our understanding of the fundamental mechanisms in protein-ligand binding. This paper spotlights integration data and target prediction scores, providing insight into mechanism action (MoA). Compounds are clustered based upon similarity their predicted protein targets each cluster is linked to sets using Linear Models for Microarray Data. MLP analysis used generate biological processes a qualitative search performed on...
Abstract Background Inflammatory bowel diseases (IBD) are chronic inflammatory disorders of the gastrointestinal tract, with periods latency alternating phases exacerbation, and include 2 forms: Crohn disease (CD) ulcerative colitis (UC). Although etiology IBD is still unclear, identification understanding pathophysiological mechanisms underlying could reveal newly targeted intestinal alterations determine therapeutic approaches. Methods In this study, by using gas chromatography-mass...
Background: An in silico mechanism-of-action analysis protocol was developed, comprising molecule bioactivity profiling, annotation of predicted targets with pathways and calculation enrichment factors to highlight more likely be implicated the studied phenotype. Results: The method applied a cytotoxicity phenotypic endpoint, enriched targets/pathways found statistically significant when compared 100 random datasets. Application on smaller apoptotic set (10 molecules) did not allowed obtain...
Nucleic acids are highly charged biopolymers whose secondary structure is strongly dependent on electrostatic interactions. Solvent molecules and ions also believed to play an important role in mediating directing both sequence recognition interactions with other molecules, such as proteins a variety of ligands. Therefore, fully understand the biological functions DNA, it necessary surrounding counterions. It well known that monovalent counterions can bind minor groove DNA consecutive...
Molecular initiating events (MIEs) can be boiled down to chemical interactions. Chemicals that interact must have intrinsic properties allow them exhibit this behavior, these stereochemical, electronic, or otherwise. In an attempt discover some of characteristics, we constructed structural alert-style structure–activity relationships (SARs) computationally predict MIEs. This work utilizes informatics approaches, searching the ChEMBL database for molecules bind a number pharmacologically...
Abstract The simultaneous increase of computational power and the availability chemical biological data have contributed to recent popularity in silico bioactivity prediction algorithms. Such methods are commonly used infer ‘Mechanism Action’ small molecules they can also be employed cases where full profiles not been established experimentally. However, protein target predictions by themselves do necessarily capture information about effect a compound on system, hence merging their output...
Obesity is a complex disorder where the genome interacts with diet and environmental factors to ultimately influence body mass, composition, shape. Numerous studies have investigated how bulk lipid metabolism of adipose tissue changes obesity and, in particular, composition triglycerides (TGs) increased adipocyte expansion. However, reflecting analytical challenge posed by examining non-TG lipids extracts dominated TGs, glycerophospholipid cell membranes has been seldom investigated....
Traditional Chinese medicine (TCM) still needs more scientific rationale to be proven for it accepted further in the West. We are now position propose computational hypotheses mode-of-actions (MOAs) of 45 TCM therapeutic action (sub)classes from silico target prediction algorithms, whose was later annotated with Kyoto Encyclopedia Genes and Genomes pathway, discover relationship between them by generating a hierarchical clustering. The results 10,749 compounds showed 183 enriched targets 99...
Background: Thyroid cancer is the most common endocrine malignancy, with papillary thyroid carcinoma (PTC) being (85⁻90%) among all different types of carcinomas. Cancer cells show metabolic alterations and, due to their rapid proliferation, an accumulation reactive oxygen species, playing a fundamental role in development and progression. Currently, crosstalk thyrocytes metabolism, redox balance oncogenic mutations remain poorly characterized. The aim this study was investigate interplay...
Cancer remains a fundamental burden to public health despite substantial efforts aimed at developing effective chemotherapeutics and significant advances in chemotherapeutic regimens. The major challenge anti-cancer drug design is selectively target cancer cells with high specificity. Research into treating malignancies by targeting altered metabolism supported computational approaches, which can take leading role identifying candidate targets for therapy as well assist the discovery...