Paperbase

Javier Andrés Tejeda Mora

Tejeda Mora Javier Andrés

ORCID: 0000-0002-0394-1004

https://scholar.google.com.mx/citations?hl=es&view_op=list_works&gmla=AJsN-F6zMtrkQv4_hHeaoNYDC7MlKl_Pe41M0c9Lb658tDO9Tmr-_yONOEOoWE5SYiiQHKYFjqZW-fD_ol7P81MEuqBcGcFjZUxm6VXlHAbq-fWCvVEcclA5GnOc60mwYIkbH3TKx44bxC8-wIDZiH6P1t-H0PyPwQ&user=7RSIG14AAAAJ

https://www.researchgate.net/profile/Javier_Tejeda-Mora

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Samuel BERTRAND

BERTRAND Samuel

ORCID: 0000-0002-5934-7012

Email: samuel.bertrand@univ-nantes.fr

HPLC Profiling with At-line Microdilution Assay for the Early Identification of Anti-fungal Compounds in Plants from French Polynesia 10.1002/pca.2473

Sample Preparation Issues in NMR-based Plant Metabolomics: Optimisation for Vitis Wood Samples 10.1002/pca.2497

Cancer chemopreventive diterpenes from Salvia corrugata 10.1016/j.phytochem.2013.09.011

Metabolite induction via microorganism co-culture: A potential way to enhance chemical diversity for drug discovery 10.1016/j.biotechadv.2014.03.001

Production of Fusaric Acid by Fusarium spp. in Pure Culture and in Solid Medium Co-Cultures 10.3390/molecules21030370

Time Dependency of Chemodiversity and Biosynthetic Pathways: An LC-MS Metabolomic Study of Marine-Sourced Penicillium 10.3390/md14050103

Combining ANOVA-PCA with POCHEMON to analyse micro-organism development in a polymicrobial environment 10.1016/j.aca.2017.01.064

Pro-Angiogenic Effects of Low Dose Ethoxidine in a Murine Model of Ischemic Hindlimb: Correlation between Ethoxidine Levels and Increased Activation of the Nitric Oxide Pathway 10.3390/molecules22040627

Successes and Pitfalls in Automated Dereplication Strategy Using Mass Spectrometry Data: a CASMI Experience 10.2174/2213235x04666160622074357

Successes and pitfalls in automated dereplication strategy using liquid chromatography coupled to mass spectrometry data: A CASMI 2016 experience 10.1016/j.phytol.2016.12.025

Passive Sampling and High Resolution Mass Spectrometry for Chemical Profiling of French Coastal Areas with a Focus on Marine Biotoxins 10.1021/acs.est.6b02081

Normal phase HPLC-based activity profiling of non-polar crude plant extracts – acetylcholinesterase inhibiting guttiferones from Montrouziera cauliflora as a case study 10.1080/14786419.2016.1154054

Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures 10.3390/molecules21030259

Lipid Composition, Fatty Acids and Sterols in the Seaweeds Ulva armoricana, and Solieria chordalis from Brittany (France): An Analysis from Nutritional, Chemotaxonomic, and Antiproliferative Activity Perspectives 10.3390/md13095606

The Marine-Derived Fungus Clonostachys rosea, Source of a Rare Conjugated 4-Me-6E,8E-hexadecadienoic Acid Reducing Viability of MCF-7 Breast Cancer Cells and Gene Expression of Lipogenic Enzymes 10.3390/md13084935

Projected Orthogonalized CHemical Encounter MONitoring (POCHEMON) for microbial interactions in co-culture 10.1007/s11306-014-0748-5

Multi-well fungal co-culture for de novo metabolite-induction in time-series studies based on untargeted metabolomics 10.1039/c4mb00223g

Current approaches and challenges for the metabolite profiling of complex natural extracts 10.1016/j.chroma.2014.10.091

De NovoProduction of Metabolites by Fungal Co-culture ofTrichophyton rubrumandBionectria ochroleuca 10.1021/np400258f

Hydroxamate, a Key Pharmacophore Exhibiting a Wide Range of Biological Activities 10.2174/13895575113139990007

Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography–High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics 10.1021/acs.analchem.8b05112

Targeting bioactive compounds in natural extracts - Development of a comprehensive workflow combining chemical and biological data 10.1016/j.aca.2019.04.038

Steroids from Marine-Derived Fungi: Evaluation of Antiproliferative and Antimicrobial Activities of Eburicol 10.3390/md17060372

Toxin content of Ostreopsis cf. ovata depends on bloom phases, depth and macroalgal substrate in the NW Mediterranean Sea 10.1016/j.hal.2019.101727

Expanding the chemical diversity through microorganisms co-culture: Current status and outlook 10.1016/j.biotechadv.2020.107521

Reproducible Molecular Networking Of Untargeted Mass Spectrometry Data Using GNPS. 10.26434/chemrxiv.9333212.v1

The secreted polyketide boydone A is responsible for the anti-Staphylococcus aureus activity of Scedosporium boydii 10.1093/femsle/fnx223

Sugar Induced Modification in Glycolipid Production in Acremonium sp. Revealed by LC-MS Lipidomic Approach 10.2174/2211550105666160922130029

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Detection of metabolite induction in fungal co-cultures on solid media by high-throughput differential ultra-high pressure liquid chromatography-time-of-flight mass spectrometry fingerprinting. 10.1016/j.chroma.2013.01.098

N-alpha-methyl coprogen B, a potential marker of the airway colonization by Scedosporium apiospermum in patients with cystic fibrosis 10.3109/13693786.2010.503972

Synthesis of the trans-fusarinine scaffold 10.1016/j.tetlet.2010.02.058

Hydroxamate siderophores of Scedosporium apiospermum 10.1007/s10534-009-9253-0

Kyo Bin Kang

Kang Kyo Bin

ORCID: 0000-0003-3290-1017

Email: kbkang@sookmyung.ac.kr

https://www.kyobinkanglab.org

Prediction of tyrosinase inhibitory activities of Morus alba root bark extracts from HPLC fingerprints 10.1016/j.microc.2013.08.012

Anti-Influenza Activity of Betulinic Acid from Zizyphus jujuba on Influenza A/PR/8 Virus 10.4062/biomolther.2015.019

Jubanines F–J, cyclopeptide alkaloids from the roots of Ziziphus jujuba 10.1016/j.phytochem.2015.09.001

Identification of ginsenoside markers from dry purified extract of Panax ginseng by a dereplication approach and UPLC–QTOF/MS analysis 10.1016/j.jpba.2015.02.034

Antiplasmodial activity, cytotoxicity and structure-activity relationship study of cyclopeptide alkaloids 10.3390/molecules22020224

Catechin-Bound Ceanothane-Type Triterpenoid Derivatives from the Roots of Zizyphus jujuba 10.1021/acs.jnatprod.6b01103

Ceanothane- and lupane-type triterpene esters from the roots of Hovenia dulcis and their antiproliferative activity on HSC-T6 cells 10.1016/j.phytochem.2017.06.014

Cytotoxic Ceanothane- and Lupane-Type Triterpenoids from the Roots of Ziziphus jujuba 10.1021/acs.jnatprod.6b00525

UHPLC-ESI-qTOF-MS analysis of cyclopeptide alkaloids in the seeds of Ziziphus jujuba var. Spinosa 10.5478/MSL.2016.7.2.45

Acylphloroglucinolated Catechin and Phenylethyl Isocoumarin Derivatives from Agrimonia pilosa 10.1021/acs.jnatprod.6b00566

Ginsenoside 20(S)-Rh2 exerts anti-cancer activity through targeting IL-6-induced JAK2/STAT3 pathway in human colorectal cancer cells 10.1016/j.jep.2016.08.039

Combined Application of UHPLC-QTOF/MS, HPLC-ELSD and ¹H–NMR Spectroscopy for Quality Assessment of DA-9801, A Standardised Dioscorea Extract 10.1002/pca.2659

Argininosecologanin, a secoiridoid-derived guanidine alkaloid from the roots of Lonicera insularis 10.1080/14786419.2017.1361953

C-Methylated Flavonoid Glycosides from Pentarhizidium orientale Rhizomes and Their Inhibitory Effects on the H1N1 Influenza Virus 10.1021/acs.jnatprod.7b00677

Berchemiosides A–C, 2-Acetoxy-ω-phenylpentaene Fatty Acid Triglycosides from the Unripe Fruits of Berchemia berchemiifolia 10.1021/acs.jnatprod.7b00602

Rhamnellosides A and B, ω-phenylpentaene fatty acid amide diglycosides from the fruits of rhamnella franguloides 10.3390/molecules23040752

Identification of candidate UDP-glycosyltransferases involved in protopanaxadiol-type ginsenoside biosynthesis in Panax ginseng 10.1038/s41598-018-30262-7

Genome and evolution of the shade-requiring medicinal herb Panax ginseng 10.1111/pbi.12926

Simultaneous Determination and Stability Test of Two Phthalic Anhydride Derivatives, Senkyunolide A and Z-Ligustilide, in the Water Extract of Cnidium Rhizome from Different Geographical Regions and Species Using HPLC-UVD Analysis 10.1002/bkcs.11471

Chemical and genomic diversity of six Lonicera species occurring in Korea 10.1016/j.phytochem.2018.07.012

Targeted Isolation of Neuroprotective Dicoumaroyl Neolignans and Lignans from Sageretia theezans Using in Silico Molecular Network Annotation Propagation-Based Dereplication 10.1021/acs.jnatprod.8b00292

The complete chloroplast genome sequence of Korean Lonicera japonica and intra-species diversity 10.1080/23802359.2018.1502637

Classficiation of Bupleuri Radix according to Geographical Origins using Near Infrared Spectroscopy (NIRS) Combined with Supervised Pattern Recognition 10.20307/nps.2018.24.3.164

Multiple Targets of 3-Dehydroxyceanothetric Acid 2-Methyl Ester to Protect Against Cisplatin-Induced Cytotoxicity in Kidney Epithelial LLC-PK1 Cells 10.3390/molecules24050878

Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae 10.1111/tpj.14292

Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages 10.1016/j.foodchem.2019.125290

Molecular Networking Reveals the Chemical Diversity of Selaginellin Derivatives, Natural Phosphodiesterase-4 Inhibitors from Selaginella tamariscina 10.1021/acs.jnatprod.9b00049

Identification and semi-synthesis of 3-O-protocatechuoylceanothic acid, a novel and natural GPR120 agonist ^† 10.3390/molecules24193487

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Assessing specialized metabolite diversity of Alnus species by a digitized LC–MS/MS data analysis workflow 10.1016/j.phytochem.2020.112292

Unique triterpenoid of jujube root protects cisplatin-induced damage in kidney epithelial LLC-PK1 cells via autophagy regulation 10.3390/nu12030677

Molnetenhancer: Enhanced molecular networks by integrating metabolome mining and annotation tools 10.3390/metabo9070144

Combined MS/MS-NMR Annotation Guided Discovery of Iris lactea var. chinensis Seed as a Source of Viral Neuraminidase Inhibitory Polyphenols 10.3390/molecules25153383

Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6

A Metabolic Choreography of Maize Plants Treated with a Humic Substance-Based Biostimulant under Normal and Starved Conditions 10.3390/metabo11060403

Chemical and Biological Profiles of Dendrobium in Two Different Species, Their Hybrid, and Gamma-Irradiated Mutant Lines of the Hybrid Based on LC-QToF MS and Cytotoxicity Analysis 10.3390/plants10071376

Randy Mojica-Flores

Mojica-Flores Randy

ORCID: 0000-0003-4514-3083

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Computational Evaluation of Interaction Between Curcumin Derivatives and Amyloid-β Monomers and Fibrils: Relevance to Alzheimer’s Disease 10.3233/JAD-200941

Pouteria sapota (Red Mamey Fruit): Chemistry and Biological Activity of Carotenoids 10.2174/1386207324666210301093711

Aldo Moreno Ulloa

Moreno Ulloa Aldo

ORCID: 0000-0001-7973-4215

Cell membrane mediated (-)-epicatechin effects on upstream endothelial cell signaling: Evidence for a surface receptor 10.1016/j.bmcl.2014.04.038

Improved in vitro angiogenic behavior on anodized titanium dioxide nanotubes 10.1186/s12951-017-0247-8

Recovery of Indicators of Mitochondrial Biogenesis, Oxidative Stress, and Aging With (-)-Epicatechin in Senile Mice 10.1093/gerona/glu131

Stimulatory effects of the flavanol (-)-epicatechin on cardiac angiogenesis: Additive effects with exercise 10.1097/FJC.0b013e318269ae0d

Pharmacokinetic, partial pharmacodynamic and initial safety analysis of (-)-epicatechin in healthy volunteers 10.1039/c4fo00596a

Mortality reduction among persons with type 2 diabetes: (-)-Epicatechin as add-on therapy to metformin? 10.1016/j.mehy.2016.04.018

Effects of ezetimibe/simvastatin and rosuvastatin on oxidative stress in diabetic neuropathy: A randomized, double-blind, placebo-controlled clinical trial 10.1155/2015/756294

Improved osteoblast and chondrocyte adhesion and viability by surface-modified Ti6Al4V alloy with anodized TiO2 nanotubes using a super-oxidative solution 10.3390/ma8030867

Beneficial effects of dark chocolate on exercise capacity in sedentary subjects: Underlying mechanisms. A double blind, randomized, placebo controlled trial 10.1039/c6fo00611f

The Promotion of Antibacterial Effects of Ti6Al4V Alloy Modified with TiO2 Nanotubes Using a Superoxidized Solution 10.1155/2015/818565

Effects of (-)-epicatechin and derivatives on nitric oxide mediated induction of mitochondrial proteins 10.1016/j.bmcl.2013.05.079

(-)-Epicatechin-induced recovery of mitochondria from simulated diabetes: Potential role of endothelial nitric oxide synthase 10.1177/1479164115620982

The effects of (-)-epicatechin on endothelial cells involve the G protein-coupled estrogen receptor (GPER) 10.1016/j.phrs.2015.08.014

The cardioprotective effects of (-)-Epicatechin are mediated through arginase activity inhibition in a murine model of ischemia/reperfusion 10.1016/j.ejphar.2017.11.007

A pilot study on clinical pharmacokinetics and preclinical pharmacodynamics of (+)-epicatechin on cardiometabolic endpoints 10.1039/C7FO01028A

Synthesis of novel (−)-epicatechin derivatives as potential endothelial GPER agonists: Evaluation of biological effects 10.1016/j.bmcl.2018.01.025

(-)-Epicatechin stimulates mitochondrial biogenesis and cell growth in C2C12 myotubes via the G-protein coupled estrogen receptor 10.1016/j.ejphar.2018.01.014

Metabolic and metagenomic profiling of hydrocarbon-degrading microorganisms obtained from the deep biosphere of the Gulf of México 10.1101/606806

Comparison of the prevalence of metabolic syndrome and risk factors in urban and rural Mexican Tarahumara-foot runners 10.1016/j.diabres.2018.06.015

Scaffolds based on alginate-PEG methyl ether methacrylate-Moringa oleifera-Aloe vera for wound healing applications 10.1016/j.carbpol.2018.11.027

Response to Dirk Lund Christensen and Juan Lopez Taylor. ‘‘Letter to the Editor: Misclassification of study population’’ 10.1016/j.diabres.2019.04.002

Formation of multinucleated variant endothelial cells with altered mitochondrial function in cultured coronary endothelium under simulated diabetes 10.1101/622407

11-β-hydroxysterols as possible endogenous stimulators of mitochondrial biogenesis as inferred from epicatechin molecular mimicry 10.1016/j.phrs.2019.104540

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Development of muscle atrophy and loss of function in a Gulf-War illness model: underlying mechanisms 10.1038/s41598-020-71486-w

Chemical Profiling Provides Insights into the Metabolic Machinery of Hydrocarbon-Degrading Deep-Sea Microbes 10.1128/mSystems.00824-20

Comprehensive multi-omics study of the molecular perturbations induced by simulated diabetes on coronary artery endothelial cells 10.1101/2021.01.06.425584

Fernando Vargas

Vargas Fernando

ORCID: 0000-0001-5847-2439

Protocol for Community-created Public MS/MS Reference Library Within the GNPS Infrastructure 10.1101/804401

ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740

Mass spectrometry searches using MASST 10.1038/s41587-019-0375-9

Protocol for community‐created public MS/MS reference spectra within the Global Natural Products Social Molecular Networking infrastructure 10.1002/rcm.8725

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Andrew Truman

Truman Andrew

ORCID: 0000-0001-5453-7485

https://www.jic.ac.uk/directory/andrew-truman/

Minimum Information about a Biosynthetic Gene cluster. 10.1038/nchembio.1890

The pathway-specific regulatory genes, tei15* and tei16*, are the master switches of teicoplanin production in Actinoplanes teichomyceticus. 10.1007/s00253-014-5969-z

Antibiotic resistance mechanisms inform discovery: identification and characterization of a novel amycolatopsis strain producing ristocetin. 10.1128/AAC.03349-14

Ribosomally synthesized and post-translationally modified peptide natural products: overview and recommendations for a universal nomenclature. 10.1039/c2np20085f

Chimeric glycosyltransferases for the generation of hybrid glycopeptides. 10.1016/j.chembiol.2009.04.013

The role of cep15 in the biosynthesis of chloroeremomycin: reactivation of an ancestral catalytic function. 10.1016/j.chembiol.2008.03.019

Characterization of the enzyme BtrD from Bacillus circulans and revision of its functional assignment in the biosynthesis of butirosin. 10.1002/anie.200604194

Identification of a deacetylase involved in the maturation of teicoplanin. 10.1002/cbic.200600308

Identification and characterisation of the gene cluster for the anti-MRSA antibiotic bottromycin: expanding the biosynthetic diversity of ribosomal peptides 10.1039/c2sc21190d

The frontline antibiotic vancomycin induces a zinc starvation response in bacteria by binding to Zn(II). 10.1038/srep19602

Dissecting Bottromycin Biosynthesis Using Comparative Untargeted Metabolomics 10.1002/anie.201604304

Dissecting Bottromycin Biosynthesis Using Comparative Untargeted Metabolomics 10.1002/ange.201604304

Cyclisation mechanisms in the biosynthesis of ribosomally synthesised and post-translationally modified peptides 10.3762/bjoc.12.120

A Genomics-Based Approach Identifies a Thioviridamide-Like Compound with Selective Anticancer Activity 10.1021/acschembio.7b00677

Macroamidine Formation in Bottromycins Is Catalyzed by a Divergent YcaO Enzyme 10.1021/jacs.7b09898

Warhead biosynthesis and the origin of structural diversity in hydroxamate metalloproteinase inhibitors. 10.1038/s41467-017-01975-6

Discovery and biosynthesis of the antibiotic bicyclomycin in distant bacterial classes 10.1101/236828

Discovery and biosynthesis of the antibiotic bicyclomycin in distant bacterial classes 10.1128/aem.02828-17

Rapid and Robust Yeast-Mediated Pathway Refactoring Generates Multiple New Bottromycin-Related Metabolites 10.1021/acssynbio.8b00038

Uncovering the unexplored diversity of thioamidated ribosomal peptides in Actinobacteria using the RiPPER genome mining tool 10.1101/494286

Uncovering the unexplored diversity of thioamidated ribosomal peptides in Actinobacteria using the RiPPER genome mining tool 10.1093/nar/gkz192

Activation of Secondary Metabolite Gene Clusters in Streptomyces clavuligerus by the PimM Regulator of Streptomyces natalensis 10.3389/fmicb.2019.00580

Thioalbamide, A Thioamidated Peptide from Amycolatopsis alba, Affects Tumor Growth and Stemness by Inducing Metabolic Dysfunction and Oxidative Stress 10.3390/cells8111408

Antibiotics: past, present and future. 10.1016/j.mib.2019.10.008

Editorial overview: Antimicrobials: Tackling AMR in the 21st century. 10.1016/j.mib.2019.11.004

Discovery and characterisation of an amidine-containing ribosomally-synthesised peptide that is widely distributed in nature 10.1101/2020.05.04.076059

Regulation of Bottromycin Biosynthesis Involves an Internal Transcriptional Start Site and a Cluster-Situated Modulator 10.3389/fmicb.2020.00495

Teicoplanin biosynthesis: unraveling the interplay of structural, regulatory, and resistance genes 10.1007/s00253-020-10436-y

Reproducible molecular networking of untargeted mass spectrometry data using GNPS. 10.1038/s41596-020-0317-5

Justin van der Hooft

van der Hooft Justin / Justin J.J. van der Hooft

ORCID: 0000-0002-9340-5511

Structural elucidation of low abundant metabolites in complex sample matrices 10.1007/s11306-013-0519-8

Non-smoky GLYCOSYLTRANSFERASE1 prevents the release of smoky aroma from tomato fruit 10.1105/tpc.113.114231

Automatic chemical structure annotation of an LC-MSn based metabolic profile from green tea 10.1021/ac400861a

Substructure-based annotation of high-resolution multistage MSn spectral trees 10.1002/rcm.6364

Structural annotation and elucidation of conjugated phenolic compounds in black, green, and white tea extracts 10.1021/jf300297y

Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake 10.1021/ac3017339

Spectral trees as a robust annotation tool in LC-MS based metabolomics 10.1007/s11306-011-0363-7

Metabolite identification using automated comparison of high-resolution multistage mass spectral trees 10.1021/ac2034216

Inhibitory activity of plumbagin produced by Drosera intermedia on food spoilage fungi 10.1002/jsfa.5522

A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR 10.1002/mrc.2833

Thermal diffusivity of periderm from tomatoes of different maturity stages as determined by the concept of the frequency-domain open photoacoustic cell 10.1063/1.3530735

Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation 10.1021/ac102546x

Iridoid and caffeoyl phenylethanoid glycosides of the endangered carnivorous plant Pinguicula lusitanica L. (Lentibulariaceae) 10.1016/j.bse.2009.05.003

Topic modeling for untargeted substructure exploration in metabolomics 10.1073/pnas.1608041113

Propagating annotations of molecular networks using in silico fragmentation 10.1371/journal.pcbi.1006089

Did a plant-herbivore arms race drive chemical diversity in Euphorbia? 10.1101/323014

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa. 10.5702/massspectrometry.S0033

Interactions of blacktea polyphenols with human gut microbiota: implications for gut and cardiovascular health 10.3945/ajcn.113.058263

Identification of a drimenol synthase and drimenol oxidase from Persicaria hydropiper, involved in the biosynthesis of insect deterrent drimanes 10.1111/tpj.13527

Enhanced Acylcarnitine Annotation in High-Resolution Mass Spectrometry Data: Fragmentation Analysis for the Classification and Annotation of Acylcarnitines 10.3389/fbioe.2015.00026

Rapid and sustained systemic circulation of conjugated gut microbiol catabolites after single-dose black tea extract consumption 10.1021/pr5001253

In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine 10.1021/ac403875b

Unexpected differential metabolic responses of Campylobacter jejuni to the abundant presence of glutamate and fucose 10.1007/s11306-018-1438-5

Comprehensive mass spectrometry-guided plant specialized metabolite phenotyping reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae 10.1101/463620

Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra 10.1101/491506

Accelerating metabolite identification in natural product research: toward an ideal combination of LC-HRMS/MS and NMR profiling, in silico databases and chemometrics 10.1021/acs.analchem.8b05112

Untargeted Mass Spectrometry-Based Metabolomics Tracks Molecular Changes in Raw and Processed Foods and Beverages 10.1101/347716

Absorption, metabolism, distribution and excretion of (−)-epicatechin: A review of recent findings https://doi.org/10.1016/j.mam.2017.11.002

Metabolite Identification in Complex Mixtures Using Nuclear Magnetic Resonance Spectroscopy 10.1007/978-3-319-28275-6_6-2

Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry 10.1093/bioinformatics/btx582

A comprehensive evaluation of the [2-14C](–)-epicatechin metabolome in rats https://doi.org/10.1016/j.freeradbiomed.2016.08.001

The food metabolome: a window over dietary exposure 10.3945/ajcn.113.076133

Human studies on the absorption, distribution, metabolism, and excretion of tea polyphenols 10.3945/ajcn.113.058958

Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics 10.1021/acs.analchem.7b01391

A community-driven paired data platform to accelerate natural product mining by combining structural information from genomes and metabolomes 10.18174/FAIRdata2018.16286

Implementations of the chemical structural and compositional similarity metric in R and Python 10.1101/546150

Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae 10.1111/tpj.14292

A genetical metabolomics approach for bioprospecting plant biosynthetic gene clusters 10.1186/s13104-019-4222-3

The Metabolomics Society—Current State of the Membership and Future Directions 10.3390/metabo9050089

Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra 10.1039/C8FD00235E

MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools 10.1101/654459

Substantial extracellular metabolic differences found between phylogenetically closely related probiotic and pathogenic strains of Escherichia coli 10.3389/fmicb.2019.00252

Assessing specialized metabolite diversity in the cosmopolitan plant genus Euphorbia l. 10.3389/fpls.2019.00846

Molnetenhancer: Enhanced molecular networks by integrating metabolome mining and annotation tools 10.3390/metabo9070144

In Silico Optimization of Mass Spectrometry Fragmentation Strategies in Metabolomics 10.3390/metabo9100219

MIBiG 2.0: a repository for biosynthetic gene clusters of known function 10.1093/nar/gkz882

Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages 10.1016/j.foodchem.2019.125290

The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery 10.1021/acscentsci.9b00806

Mass spectrometry searches using MASST 10.1038/s41587-019-0375-9

Assessing specialized metabolite diversity of Alnus species by a digitized LC–MS/MS data analysis workflow 10.1016/j.phytochem.2020.112292

Microbiome-derived carnitine mimics as previously unknown mediators of gut-brain axis communication 10.1126/sciadv.aax6328

Chemically-informed Analyses of Metabolomics Mass Spectrometry Data with Qemistree 10.1101/2020.05.04.077636

Linking genomics and metabolomics to chart specialized metabolic diversity 10.1039/D0CS00162G

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Decomposing metabolite set activity levels with PALS 10.1101/2020.06.07.138974

Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions 10.1101/2020.06.12.148205

Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking 10.1021/acs.orglett.0c02153

matchms - processing and similarity evaluation of mass spectrometry data 10.1101/2020.08.06.239244

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships 10.1101/2020.08.11.245928

BiG-SLiCE: A Highly Scalable Tool Maps the Diversity of 1.2 Million Biosynthetic Gene Clusters 10.1101/2020.08.17.240838

matchms - processing and similarity evaluation of mass spectrometry data. 10.21105/joss.02411

ReDU: a framework to find and reanalyze public mass spectrometry data 10.1038/s41592-020-0916-7

Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6

Rapid Development of Improved Data-dependent Acquisition Strategies 10.1101/2020.09.11.293092

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree 10.1038/s41589-020-00677-3

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data 10.1038/s41587-020-0700-3

The ant fungus garden acts as an external digestive system 10.1101/2020.11.18.389361

BiG-MAP: an automated pipeline to profile metabolic gene cluster abundance and expression in microbiomes 10.1101/2020.12.14.422671

BiG-SLiCE: A highly scalable tool maps the diversity of 1.2 million biosynthetic gene clusters 10.1093/gigascience/giaa154

Veterinary trypanocidal benzoxaboroles are peptidase-activated prodrugs 10.1371/journal.ppat.1008932

Comparative Metabologenomics Analysis of Polar Actinomycetes 10.3390/md19020103

Ranking Metabolite Sets by Their Activity Levels 10.3390/metabo11020103

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships 10.1371/journal.pcbi.1008724

Rapid Development of Improved Data-Dependent Acquisition Strategies 10.1021/acs.analchem.0c03895

MS2DeepScore - a novel deep learning similarity measure for mass fragmentation spectrum comparisons 10.1101/2021.04.18.440324

Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions 10.1371/journal.pcbi.1008920

Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview 10.3390/metabo11070445

Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden 10.1128/mSystems.00601-21

Comprehensive Large-Scale Integrative Analysis of Omics Data To Accelerate Specialized Metabolite Discovery 10.1128/mSystems.00726-21

Christian Martin H.

Martin H. Christian

ORCID: 0000-0002-9604-6737

Viscosin-like lipopeptides from frog skin bacteria inhibit Aspergillus fumigatus and Batrachochytrium dendrobatidis detected by imaging mass spectrometry and molecular networking 10.1038/s41598-019-39583-7

Fungus-Growing Ant's Microbial Interaction of Streptomyces sp. and Escovopsis sp. through Molecular Networking and MALDI Imaging 10.1177/1934578x1901400117

Genome Mining, Microbial Interactions, and Molecular Networking Reveals New Dibromoalterochromides from Strains of Pseudoalteromonas of Coiba National Park-Panama 10.3390/md18090456

Metabolites from Microbes Isolated from the Skin of the Panamanian Rocket Frog Colostethus panamansis (Anura: Dendrobatidae) 10.3390/metabo10100406

Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Metabolomic signatures of coral bleaching history. 10.1038/s41559-020-01388-7

A community resource for paired genomic and metabolomic data mining. 10.1038/s41589-020-00724-z

Marcelino Gutierrez

Gutierrez Marcelino

ORCID: 0000-0003-1423-3772

Uprolides N, O and P from the Panamanian Octocoral Eunicea succinea 10.3390/molecules21060819

Imaging mass spectrometry and MS/MS molecular networking reveals chemical interactions among cuticular bacteria and pathogenic fungi associated with fungus-growing ants 10.1038/s41598-017-05515-6

Antimicrobial‐producing Pseudoalteromonas from the marine environment of Panama shows a high phylogenetic diversity and clonal structure 10.1002/jobm.201800087

Imaging Mass Spectrometry of a Coral Microbe Interaction with Fungi 10.1007/s10886-013-0320-1

Leptolide, a new furanocembranolide diterpene from Leptogorgia alba 10.1021/np049745z

Cannabinomimetic lipid from a marine cyanobacterium 10.1021/np200610t

Structural and synthetic investigations of tanikolide dimer, a SIRT2 selective inhibitor, and tanikolide seco-acid from the Madagascar marine cyanobacterium Lyngbya majuscula 10.1021/jo900578j

Antiprotozoal activity against Plasmodium falciparum and Trypanosoma cruzi of aeroplysinin-1 isolated from the new sponge Aplysina chiriquensis 10.1080/13880200500406503

Antiplasmodial activity of bacilosarcin A isolated from the octocoral-associated bacterium Bacillus sp. collected in Panama 10.4103/0975-7406.92739

Antitrypanosomal alkaloids from the marine bacterium Bacillus pumilus 10.3390/molecules170911146

L-Galactose as a natural product: Isolation from a marine octocoral of the first α-L-galactosyl saponin 10.1016/j.tetlet.2004.08.170

MS/MS networking guided analysis of molecule and gene cluster families 10.1073/pnas.1303471110

Apratoxin D, a potent cytotoxic cyclodepsipeptide from papua new Guinea collections of the marine cyanobacteria Lyngbya majuscula and Lyngbya sordida 10.1021/np800121a

seco-briarellinone and briarellin S, two new eunicellin-based diterpenoids from the panamanian octocoral Briareum asbestinum 10.3390/md10112608

Dudawalamides A-D, Antiparasitic Cyclic Depsipeptides from the Marine Cyanobacterium Moorea producens 10.1021/acs.jnatprod.7b00034

Antiplasmodial metabolites isolated from the marine octocoral Muricea austera 10.1021/np060007f

A pseudopterane diterpene isolated from the octocoral Pseudopterogorgia acerosa inhibits the inflammatory response mediated by TLR-ligands and TNF-alpha in macrophages 10.1371/journal.pone.0084107

Microbiota of healthy corals are active against fungi in a light-dependent manner 10.1021/cb500432j

Toxins and pharmacologically active compounds from species of the family Bufonidae (Amphibia, Anura) 10.1016/j.jep.2016.12.021

Interpretation of tandem mass spectra obtained from cyclic nonribosomal peptides 10.1021/ac900114t

Malyngolide dimer, a bioactive symmetric cyclodepside from the panamanian marine cyanobacterium lyngbya majuscula 10.1021/np9005184

Assessment of Novel Curcumin Derivatives as Potent Inhibitors of Inflammation and Amyloid-β Aggregation in Alzheimer's Disease 10.3233/JAD-170071

Pumilacidins from the Octocoral-Associated Bacillus sp. DT001 Display Anti-Proliferative Effects in Plasmodium falciparum 10.3390/molecules23092179

A Marine Diterpenoid Modulates the Proteasome Activity in Murine Macrophages Stimulated with LPS 10.3390/biom8040109

Viscosin-like lipopeptides from frog skin bacteria inhibit Aspergillus fumigatus and Batrachochytrium dendrobatidis detected by imaging mass spectrometry and molecular networking 10.1038/s41598-019-39583-7

Antiparasitic Compounds from the Panamanian Marine Bacterium Pseudomonas aeruginosa https://doi.org/10.1177/1934578X1901400109

Fungus-Growing Ant’s Microbial Interaction of Streptomyces sp. and Escovopsis sp. through Molecular Networking and MALDI Imaging https://doi.org/10.1177/1934578X1901400117

New Eunicellin-Type Diterpenes from the Panamanian Octocoral Briareum asbestinum 10.3390/md18020084

Analysis of the antiparasitic and anticancer activity of the coconut palm (Cocos nucifera L. ARECACEAE) from the natural reserve of Punta Patiño, Darién 10.1371/journal.pone.0214193

19-Hydroxy-bufalin, a major bufadienolide isolated from the parotoid gland secretions of the Panamanian endemic toad Rhinella centralis (Bufonidae), inhibits the growth of Trypanosoma cruzi 10.1016/j.toxicon.2020.02.009

Reproducible molecular networking of untargeted mass spectrometry data using GNPS 10.1038/s41596-020-0317-5

Genome Mining, Microbial Interactions, and Molecular Networking Reveals New Dibromoalterochromides from Strains of Pseudoalteromonas of Coiba National Park-Panama 10.3390/md18090456

Metabolites from Microbes Isolated from the Skin of the Panamanian Rocket Frog Colostethus panamansis (Anura: Dendrobatidae) 10.3390/metabo10100406

Antimicrobial Secretions of Toads (Anura, Bufonidae): Bioactive Extracts and Isolated Compounds against Human Pathogens 10.3390/antibiotics9120843

Antibacterial Activity of Volatile Organic Compounds Produced by the Octocoral-Associated Bacteria Bacillus sp. BO53 and Pseudoalteromonas sp. GA327 10.3390/antibiotics9120923

Bufadienolides from the Skin Secretions of the Neotropical Toad Rhinella alata (Anura: Bufonidae): Antiprotozoal Activity against Trypanosoma cruzi 10.3390/molecules26144217