Luis-Manuel Quirós-Guerrero
YOU?
Author Swipe
View article: Comprehensive comparative metabolome study of a large collection of Corsican bryophytes
Comprehensive comparative metabolome study of a large collection of Corsican bryophytes Open
Introduction Bryophytes are non-vascular plants that appeared on Earth before vascular plants. More than 24,000 species are reported worldwide, and only a small proportion have been studied. However, part of their biosynthetic potential ha…
View article: Prioritization of novel anti-infective stilbene derivatives by combining metabolomic data organization and a stringent 3R-infection model in a knowledge graph
Prioritization of novel anti-infective stilbene derivatives by combining metabolomic data organization and a stringent 3R-infection model in a knowledge graph Open
Knowledge graph organization of metabolomic data provides a powerful tool to accelerate the discovery of new therapeutic solutions against multidrug-resistant tuberculosis.
View article: Prioritization of Novel Anti-infective Stilbene derivatives by Combining Metabolomic Data Organization and a Stringent 3R-infection Model in a Knowledge Graph
Prioritization of Novel Anti-infective Stilbene derivatives by Combining Metabolomic Data Organization and a Stringent 3R-infection Model in a Knowledge Graph Open
The rising threat of Multidrug-Resistant Tuberculosis (MDR-TB), caused by Mycobacterium tuberculosis (Mtb), underscores the urgent need for new therapeutic solutions to tackle the challenge of antibiotics resistance. The current study util…
View article: plantMASST - Community-driven chemotaxonomic digitization of plants
plantMASST - Community-driven chemotaxonomic digitization of plants Open
Understanding the distribution of hundreds of thousands of plant metabolites across the plant kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075 plant extracts and developed the plantMASS…
View article: Integration of Wnt-inhibitory activity and structural novelty scoring results to uncover novel bioactive natural products: new Bicyclo[3.3.1]non-3-ene-2,9-diones from the leaves of Hymenocardia punctata
Integration of Wnt-inhibitory activity and structural novelty scoring results to uncover novel bioactive natural products: new Bicyclo[3.3.1]non-3-ene-2,9-diones from the leaves of Hymenocardia punctata Open
In natural products (NPs) research, methods for the efficient prioritization of natural extracts (NEs) are key for discovering novel bioactive NPs. In this study a biodiverse collection of 1,600 NEs, previously analyzed by UHPLC-HRMS 2 met…
View article: A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery
A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery Open
The ENPKG framework organizes large heterogeneous metabolomics data sets as a knowledge graph, offering exciting opportunities for drug discovery and chemodiversity characterization.
View article: Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family
Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family Open
Natural products exhibit interesting structural features and significant biological activities. The discovery of new bioactive molecules is a complex process that requires high-quality metabolite profiling data to properly target the isola…
View article: Integration of Wnt-inhibitory Activity and Structural Novelty Scoring Results to Uncover Novel Bioactive Natural Products: New Bicyclo[3.3.1]non-3-ene-2,9-diones from the Leaves of Hymenocardia punctata.
Integration of Wnt-inhibitory Activity and Structural Novelty Scoring Results to Uncover Novel Bioactive Natural Products: New Bicyclo[3.3.1]non-3-ene-2,9-diones from the Leaves of Hymenocardia punctata. Open
In natural products (NP) research, methods for the efficient prioritization of natural extracts (NEs) are key for discovering novel bioactive NPs. In this study a biodiverse collection of 1600 NEs, previously analyzed by UHPLC-HRMS2 metabo…
View article: A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery
A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery Open
Modern natural products (NPs) research relies on untargeted liquid chromatography coupled with mass spectrometry metabolomics. Together with cutting-edge processing and computational annotation strategies, such approaches can yield extensi…
View article: Application of the RDF framework to integrate heterogenous experimental data of a large chemo- and biodiverse collection from a research collaborative project
Application of the RDF framework to integrate heterogenous experimental data of a large chemo- and biodiverse collection from a research collaborative project Open
Plants have a complex chemo-diversity and represent a reservoir of potential new therapeutic agents. Within a Swiss research project, six scientific research groups from different disciplines are collaborating to investigate a collection o…
View article: Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family
Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family Open
Natural products exhibit interesting structural features and significant biological activities. The discovery of new bioactive molecules is a complex process that requires high-quality metabolite profiling data to properly target the isola…
View article: Differential Volatile Organic Compound Expression in the Interaction of <i>Daldinia eschscholtzii</i> and <i>Mycena citricolor</i>
Differential Volatile Organic Compound Expression in the Interaction of <i>Daldinia eschscholtzii</i> and <i>Mycena citricolor</i> Open
Fungi exhibit a wide range of ecological guilds, but those that live within the inner tissues of plants (also known as endophytes) are particularly relevant due to the benefits they sometimes provide to their hosts, such as herbivory deter…
View article: A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data
A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data Open
MicrobeMASST, a taxonomically-informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can s…
View article: A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data
A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data Open
MicrobeMASST, a taxonomically-informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can s…
View article: A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery
A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery Open
Modern natural products (NPs) research relies on untargeted liquid chromatography coupled with mass spectrometry metabolomics. Together with cutting-edge processing and computational annotation strategies, such approaches can yield extensi…
View article: Antiprotozoal activity of natural products from Nigerien plants used in folk medicine
Antiprotozoal activity of natural products from Nigerien plants used in folk medicine Open
In the course of the screening of plants from Niger for antiprotozoal activity, the methanol extract of Cassia sieberiana , and the dichloromethane extracts of Ziziphus mauritiana and Sesamun alatum were found to be active against protozoa…
View article: Open and reusable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts
Open and reusable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts Open
As privileged structures, natural products often display potent biological activities. However, the discovery of novel bioactive scaffolds is often hampered by the chemical complexity of the biological matrices they are found in. Large nat…
View article: Metabolomics in Ecology and Bioactive Natural Products Discovery: Challenges and Prospects for a Comprehensive Study of the Specialised Metabolome
Metabolomics in Ecology and Bioactive Natural Products Discovery: Challenges and Prospects for a Comprehensive Study of the Specialised Metabolome Open
Metabolomics is playing an increasingly prominent role in chemical ecology and in the discovery of bioactive natural products (NPs). The identification of metabolites is a common/central objective in both research fields. NPs have signific…
View article: Inventa: A computational tool to discover structural novelty in natural extracts libraries
Inventa: A computational tool to discover structural novelty in natural extracts libraries Open
Collections of natural extracts hold potential for the discovery of novel natural products with original modes of action. The prioritization of extracts from collections remains challenging due to the lack of a workflow that combines multi…
View article: <i>Inventa</i>: a computational tool to discover chemical novelty in natural extracts libraries
<i>Inventa</i>: a computational tool to discover chemical novelty in natural extracts libraries Open
Collections of natural extracts hold potential for the discovery of novel natural products with original modes of action. The prioritization of extracts from collections remains challenging due to the lack of workflow that combines multipl…
View article: Chiral Separation of Stilbene Dimers Generated by Biotransformation for Absolute Configuration Determination and Antibacterial Evaluation
Chiral Separation of Stilbene Dimers Generated by Biotransformation for Absolute Configuration Determination and Antibacterial Evaluation Open
A series of complex stilbene dimers have been generated through biotransformation of resveratrol, pterostilbene, and the mixture of both using the enzymatic secretome of Botrytis cinerea Pers. The process starts with achiral molecules and …
View article: Isolation and Structural Elucidation of Compounds from Pleiocarpa bicarpellata and Their In Vitro Antiprotozoal Activity
Isolation and Structural Elucidation of Compounds from Pleiocarpa bicarpellata and Their In Vitro Antiprotozoal Activity Open
Species of the genus Pleiocarpa are used in traditional medicine against fever and malaria. The present study focuses on the isolation and identification of bioactive compounds from P. bicarpellata extracts, and the evaluation of their ant…
View article: Feature-Based Molecular Networking—An Exciting Tool to Spot Species of the Genus Cortinarius with Hidden Photosensitizers
Feature-Based Molecular Networking—An Exciting Tool to Spot Species of the Genus Cortinarius with Hidden Photosensitizers Open
Fungi have developed a wide array of defense strategies to overcome mechanical injuries and pathogen infections. Recently, photoactivity has been discovered by showing that pigments isolated from Cortinarius uliginosus produce singlet oxyg…
View article: Characterization of Pseudomonas aeruginosa Quorum Sensing Inhibitors from the Endophyte Lasiodiplodia venezuelensis and Evaluation of Their Antivirulence Effects by Metabolomics
Characterization of Pseudomonas aeruginosa Quorum Sensing Inhibitors from the Endophyte Lasiodiplodia venezuelensis and Evaluation of Their Antivirulence Effects by Metabolomics Open
The opportunistic pathogen Pseudomonas aeruginosa is one of the “critical priority pathogens” due to its multidrug resistance to a wide range of antibiotics. Its ability to invade and damage host tissues is due to the use of quorum sensing…
View article: Isolation and Identification of Isocoumarin Derivatives With Specific Inhibitory Activity Against Wnt Pathway and Metabolome Characterization of Lasiodiplodia venezuelensis
Isolation and Identification of Isocoumarin Derivatives With Specific Inhibitory Activity Against Wnt Pathway and Metabolome Characterization of Lasiodiplodia venezuelensis Open
The Wnt signaling pathway controls multiple events during embryonic development of multicellular animals and is carcinogenic when aberrantly activated in adults. Breast cancers are dependent on Wnt pathway overactivation mostly through dys…
View article: Metabolomics reveals biomarkers in human urine and plasma to predict cytochrome P450 2D6 (CYP2D6) activity
Metabolomics reveals biomarkers in human urine and plasma to predict cytochrome P450 2D6 (CYP2D6) activity Open
Background and Purpose Individualized assessment of cytochrome P450 2D6 (CYP2D6) activity is usually performed through phenotyping following administration of a probe drug to measure the enzyme's activity. To avoid any iatrogenic harm (all…
View article: Constituents of Chamaecrista diphylla (L.) Greene Leaves with Potent Antioxidant Capacity: A Feature-Based Molecular Network Dereplication Approach
Constituents of Chamaecrista diphylla (L.) Greene Leaves with Potent Antioxidant Capacity: A Feature-Based Molecular Network Dereplication Approach Open
Chamaecrista diphylla (L.) Greene (Fabaceae/Caesalpiniaceae) is a herbaceous plant that is widely distributed throughout the Americas. Plants from this genus have been used in traditional medicine as a laxative, to heal wounds, and to trea…