Article
Biochemistry & Molecular Biology
Anza-Tshilidzi Ramabulana, Daniel Petras, Ntakadzeni E. Madala, Fidele Tugizimana
Summary: This study utilized molecular networking to explore the chemical composition of four Momordica plant species, revealing a variety of compound classes such as flavonoids, terpenoids, and lipids. Computational tools were used to analyze and classify the biologically active metabolites within these plants, demonstrating their phytochemical richness and differential distribution across species.
Article
Environmental Sciences
Andrea Gamba, Daniel Petras, Mark Little, Brandie White, Pieter C. Dorrestein, Forest Rohwer, Rachel A. Foster, Aaron C. Hartmann
Summary: Untargeted metabolomics is a powerful tool for profiling the biochemical phenotypes of organisms and discovering new metabolites that can be developed into pharmaceuticals. This study demonstrates the use of tissue separation to simplify biological complexity and reveals different responses to environmental stress in coral host mitochondria and algal symbionts.
FRONTIERS IN MARINE SCIENCE
(2022)
Article
Nutrition & Dietetics
Ramya Jayaprakash, Farha Ramzan, Jennifer L. Miles-Chan, Meika Foster, Richard F. Mithen, Chris Pook
Summary: The chemical profiles of kawakawa leaves were analyzed using targeted and non-targeted LC-MS/MS. Sixty-four compounds were identified, including phenylpropanoids, lignans, flavonoids, alkaloids, and amides. The concentrations of these compounds varied significantly depending on the source of the leaves. Ingesting kawakawa leaf as a tea or as a seasoning is unlikely to reach toxic levels of pharmacologically active metabolites.
Article
Biochemistry & Molecular Biology
Eman H. Reda, Nesrine M. Hegazi, Mona Marzouk, Zienab T. Abdel Shakour, Ali M. El-Halawany, El-Sayeda A. El-Kashoury, Tarik A. Mohamed, Mahmoud A. A. Ibrahim, Khaled A. Shams, Nahla S. Abdel-Azim, Christopher J. Kampf, Thomas Efferth, Paul. W. Pare, Mohamed-Elamir F. Hegazy
Summary: LC-MS/MS analysis was used to investigate the metabolome of Centaurea lipii and identified cinnamic acids, sesquiterpene lactones, flavonoids, and lignans as the major chemical classes. Bioassay-guided fractionation confirmed that sesquiterpene lactones were responsible for the cytotoxic activity.
Review
Biochemistry & Molecular Biology
Scott A. Jarmusch, Justin J. J. van der Hooft, Pieter C. Dorrestein, Alan K. Jarmusch
Summary: This article discusses the importance of mass spectrometry technology in natural products research and the new trend of open MS data and data mining tools in this field. Over the past 5 years, this shift has rapidly developed with huge potential for the future. The article proposes a new framework and challenges for utilizing repository data, highlighting the importance of data openness and data mining as the next important development stage in natural products research.
NATURAL PRODUCT REPORTS
(2021)
Article
Multidisciplinary Sciences
Suzie K. Hight, Trevor N. Clark, Kenji L. Kurita, Elizabeth A. McMillan, Walter Bray, Anam F. Shaikh, Aswad Khadilkar, F. P. Jake Haeckl, Fausto Carnevale-Neto, Scott La, Akshar Lohith, Rachel M. Vaden, Jeon Lee, Shuguang Wei, R. Scott Lokey, Michael A. White, Roger G. Linington, John B. MacMillan
Summary: Determining the mechanism of action of natural products is a significant challenge. This study presents a comprehensive platform that integrates multiple data sources and metabolomics analysis to improve the prediction of mechanism of action and facilitate the identification of bioactive metabolites.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Agriculture, Multidisciplinary
Zhao-Jie Wang, Dan-Ni Jin, Ying Zhou, Xu-Yan Sang, Yan-Yan Zhu, Ying-Jie He, Tian-Zhen Xie, Zhi Dai, Yun-Li Zhao, Xiao-Dong Luo
Summary: Chaenomeles speciosa fruits, a dual-purpose Chinese herbal medicine and functional food favored by minorities in Southwest China, possess antimicrobial activity attributed to triterpenes, flavonoids, and phenolics. The bioactive fraction of the fruits inhibits 18 pathogenic microorganisms, including drug-resistant bacteria, with potential synergistic effects of compounds like 2'-methoxyaucuparin and oleanolic acid, suggesting its development as a supplement for preventing and treating microbial infections.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Mahdi Abbas-Mohammadi, Mahdi Moridi Farimani, Peyman Salehi, Samad Nejad Ebrahimi, Ali Sonboli, Celine Kelso, Danielle Skropeta
Summary: In this study, a molecular networking approach was used to analyze the chemical profile of a medicinal plant extract with AChE activity. A total of 44 compounds were identified, with glycosylated flavonoid querciturone showing the highest affinity and several compounds showing stronger activity against AChE than the clinically used drug donepezil.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Pharmacology & Pharmacy
Romain Pelletier, Thomas Gicquel, Melanie Simoes Eugenio, Pierre-Jean Ferron, Isabelle Morel, Claire Delehouze, Marie-Therese Dimanche-Boitrel, Morgane Rousselot, Brendan Le Dare
Summary: This study investigated the metabolic fate of Sibiriline using in silico prediction, in vitro and in vivo experiments. LC-HRMS/MS analysis identified 14 metabolites, mainly produced by Phase II transformations. These data provide initial reassurance regarding the toxicology of this new RIPK1 inhibitor, although further studies are required.
Article
Agriculture, Multidisciplinary
Olivier Perruchon, Isabelle Schmitz-Afonso, Cecile Grondin, Jean-Luc Legras, Carlos Afonso, Abdelhakim Elomri
Summary: This study utilized untargeted metabolomics approaches to analyze the metabolites of Starmerella reginensis and Starmerella kourouensis, revealing a rich content of various compounds in both yeast strains, including alkaloids, lipids, amino acids, and terpenoids. The research sheds light on the significant structural diversity of small molecules in Starmerella yeast secondary metabolites.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Immunology
Johanna Hiefner, Johann Rische, Madeleine J. Bunders, Anna Worthmann
Summary: This study presents a method based on HPLC-MS/MS for the quantification of adenine nucleotides, which helps us understand the impact of disturbances in AN balance on cellular function.
FRONTIERS IN IMMUNOLOGY
(2023)
Article
Chemistry, Analytical
Nathan Carriot, Benoit Paix, Stephane Greff, Bruno Viguier, Jean-Francois Briand, Gerald Culioli
Summary: Untargeted LC-MS based metabolomics is a useful approach for annotating metabolomes of non-model organisms. In this study, a workflow combining classical phytochemical methods and MS/MS-based molecular networking was developed and applied to annotate over 200 metabolites in the marine brown seaweed Taonia atomaria.
Article
Agricultural Engineering
Yingpeng Tong, Pan Wang, Jian Sun, Xin Li, Ting Wang, Qi Zhou, Zhenda Xie, Chunxiao Jiang, Jianxin Wang, Radix Scrophulariae
Summary: This study used metabolomics and molecular networking to examine differential metabolites in Radix Scrophulariae samples from different origins. 18 compounds with higher contents in RS from Zhejiang emerged as candidate chemical markers for quality control, showing correlations with climatic factors and biochemical compounds in soil.
INDUSTRIAL CROPS AND PRODUCTS
(2021)
Article
Biochemistry & Molecular Biology
Mahmoud Emam, Doaa R. Abdel-Haleem, Maha M. Salem, Lina Jamil M. Abdel-Hafez, Rasha R. Abdel Latif, Shaimaa Mahmoud Farag, Mansour Sobeh, Mohamed A. El Raey
Summary: The chemical investigation of Lavandula coronopifolia extract revealed larvicidal activity against Culex pipiens larvae, inhibition of various enzymes, particularly biofilm formation of Pseudomonas aeruginosa, which was enhanced when combined with ciprofloxacin. This wild plant shows promise as a natural source against resistant bacteria and infectious carriers.
Article
Medicine, Research & Experimental
Jeong In Seo, Jun Sang Yu, Eun Kyu Lee, Ki Baek Park, Hye Hyun Yoo
Summary: This study investigated the pharmacokinetic profiles of bioactive components in the Cudrania tricuspidata leaf extract using a molecular networking system. The results identified quercetin and kaempferol glucuronide metabolites as the major circulating species and suggested that molecular network-based approaches are potential and efficient methods for pharmacokinetic studies of herbal medicines.
BIOMEDICINE & PHARMACOTHERAPY
(2022)
Article
Multidisciplinary Sciences
E. Hossain, S. Khanam, D. A. Dean, C. Wu, S. Lostracco-Johnson, D. Thomas, S. S. Kane, A. R. Parab, K. Flores, M. Katemauswa, C. Gosmanov, S. E. Hayes, Y. Zhang, D. Li, C. Woelfel-Monsivais, K. Sankaranarayanan, L- Mccall
Article
Oncology
Arko Sen, Briana C. Prager, Cuiqing Zhong, Donglim Park, Zhe Zhu, Ryan C. Gimple, Qiulian Wu, Jean A. Bernatchez, Sungjun Beck, Alex E. Clark, Jair L. Siqueira-Neto, Jeremy N. Rich, Graham McVicker
Summary: Glioblastoma, the most common primary malignant brain tumor in adults, lacks effective treatments. By investigating allele-specific expression, researchers have identified genes, including SLFN11, that are dysregulated in glioblastoma stem cells and play a role in drug resistance and susceptibility to the Zika virus.
Article
Biochemical Research Methods
Mitchelle Katemauswa, Ekram Hossain, Zongyuan Liu, Mahbobeh Lesani, Adwaita R. Parab, Danya A. Dean, Laura-Isobel Mccall
Summary: The study introduced a swab-based quantitative approach to measure small molecule concentrations on common surfaces, allowing for future exposomics studies in analyte-specific and surface-specific frameworks.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Infectious Diseases
Danya A. Dean, Gautham Gautham, Jair L. Siqueira-Neto, James H. McKerrow, Pieter C. Dorrestein, Laura-Isobel Mccall
Summary: Chagas disease, caused by Trypanosoma cruzi, affects millions of people worldwide and can induce severe cardiac symptoms during the chronic stage. By analyzing the heart tissue metabolome of mice infected with T. cruzi, researchers identified specific metabolic changes in localized cardiac regions, highlighting the impact of parasite infection on host metabolism. Furthermore, discriminatory small molecules related to infection were identified, providing insight into the development of chronic cardiac symptoms in CD.
PLOS NEGLECTED TROPICAL DISEASES
(2021)
Article
Multidisciplinary Sciences
Danya A. Dean, Jacob J. Haffner, Mitchelle Katemauswa, Laura-Isobel Mccall
Summary: This article discusses the impact of pathogen tropism and disease tropism on disease symptoms, and introduces the application of chemical cartography in studying the pathogenesis of trypanosomatid diseases.
JOVE-JOURNAL OF VISUALIZED EXPERIMENTS
(2022)
Article
Chemistry, Multidisciplinary
Jean A. Bernatchez, Yun-Seo Kil, Elany Barbosa da Silva, Diane Thomas, Laura-Isobel Mccall, Karen L. Wendt, Julia M. Souza, Jasmin Ackermann, James H. McKerrow, Robert H. Cichewicz, Jair L. Siqueira-Neto
Summary: The study identified five leucinostatins (A, B, F, NPDG C, and NPDG D) as potent inhibitors of the intracellular amastigote form of T. cruzi, and leucinostatin B also demonstrated in vivo suppression of T. cruzi in a mouse model of Chagas disease. These findings suggest a potential cross-trypanocidal compound class and provide a platform for further chemical derivatization for the development of effective treatments against T. cruzi.
Article
Chemistry, Analytical
Tra D. Nguyen, Yunpeng Lan, Shelley S. Kane, Jacob J. Haffner, Renmeng Liu, Laura-Isobel McCall, Zhibo Yang
Summary: This study revealed heterogeneity in the metabolic response of host cells to Trypanosoma cruzi infection, with uninfected cells also showing metabolic impacts. These findings provide novel insights into the pathogenesis of Chagas disease.
ANALYTICAL CHEMISTRY
(2022)
Article
Microbiology
Danya A. Dean, London Klechka, Ekram Hossain, Adwaita R. Parab, Krystin Eaton, Myron Hinsdale, Laura-Isobel McCall
Summary: The study demonstrates the importance of the influenza virus as a major health concern, and how spatial metabolomics can help understand changes in the lung and serum metabolome of mice infected with influenza A virus compared to uninfected controls.
Article
Biochemistry & Molecular Biology
Mahbobeh Lesani, Camil Gosmanov, Andrea Paun, Michael D. Lewis, Laura-Isobel Mccall
Summary: This study identified metabolites commonly impacted by Leishmania donovani infection across organs, including glycerophospholipids, ceramides, acylcarnitines, peptides, purines and amino acids. The comparison showed a greater overlap of perturbed metabolites between spleen and liver, in accordance with VL symptoms and parasite tropism.
Review
Chemistry, Multidisciplinary
Ines Forrest, Christopher G. Parker
Summary: Chemical probes are important tools for studying biological processes and developing therapies, but only a small fraction of human proteins have selective chemical probes. Our understanding of the chemically-tractable proteome is limited, resulting in many unexploited therapeutic targets. To address these challenges, powerful chemical proteomic approaches have been developed to globally survey protein-ligand interactions in native systems. This review discusses the utility of these approaches, particularly in conjunction with fragment-based ligand discovery (FBLD), to map the ligandable proteome and identify lead chemical probes.
ISRAEL JOURNAL OF CHEMISTRY
(2023)
Article
Biochemical Research Methods
Monica Ness, Avery L. Holmes, Chaoyi Wu, Ekram Hossain, Carolyn B. Ibberson, Laura-Isobel McCall
Summary: Concerns about the use of polymers in mass spectrometry (MS)-based metabolomics have led to their avoidance. However, experiments using adhesive bandages have shown that they can still provide biologically informative MS data. This method has been successfully applied to study the metabolome of murine surgical wound infections, revealing significant differences in metabolites between different infection conditions.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Chemistry, Medicinal
Danya A. Dean, Jarrod Roach, Rebecca Ulrich vonBargen, Yi Xiong, Shelley S. Kane, London Klechka, Kate Wheeler, Michael Jimenez Sandoval, Mahbobeh Lesani, Ekram Hossain, Mitchelle Katemauswa, Miranda Schaefer, Morgan Harris, Sayre Barron, Zongyuan Liu, Chongle Pan, Laura-Isobel McCall
Summary: This study analyzed the changes in the metabolome of T. cruzi-infected mice and found that urine is the most indicative biofluid of infection status. The urine metabolome could be used as a tool for assessing the success of Chagas disease treatment. Additionally, the study provides a complementary hypothesis for the limited efficacy of benznidazole treatment in late-stage disease.
ACS INFECTIOUS DISEASES
(2023)
