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Secondary metabolites from natural sources are promising starting points for discovering and developing drug prototypes and new drugs, as many current treatments for numerous diseases are directly or indirectly related to such compounds. Recent advances in bioinformatics tools and molecular networking methods have made it possible to identify novel bioactive compounds. In this study, a workflow combining network-based methods for identifying bioactive compounds found in natural products was streamlined by innovating an automated bioinformatics software. The workflow relies on Global Natural Product Social Molecular Networking (GNPS), a web-based mass spectrometry ecosystem that aims to be an open-access knowledge base for community-wide organization and sharing of raw, processed, or annotated fragmentation mass spectrometry data. By combining computational tools including MZmine2, GNPS, and Cytoscape, the integrated dashboard quickly creates bioactive molecular networks with minimal user intervention and reduces the processing time of the original workflow by over 80%. This newly automated workflow quickens the process of discovering bioactive compounds from natural products. This study uses extracts from leaves to demonstrate the application of our automated software.
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http://dx.doi.org/10.1021/acs.jcim.2c00307 | DOI Listing |
Clin Exp Med
December 2024
Department of Virology, National Institute of Public Health NIH-National Research Institute, Warsaw, Poland.
Decades of basic and translational research have led to a momentum shift in dissecting the relationship between immune cells and cancer. This culminated in the emergence of breakthrough immunotherapies that paved the way for oncologists to manage certain hard-to-treat cancers. The application of high-throughput techniques of genomics, transcriptomics, and proteomics was conclusive in making and expediting the manufacturing process of cancer vaccines.
View Article and Find Full Text PDFCell Physiol Biochem
December 2024
Zoology Department, Faculty of Science, Tanta University, Tanta, Egypt.
Background/aims: Phenobarbital (PB), commonly used for epilepsy management, is associated with testicular dysfunction after prolonged use. This study aimed to evaluate the ameliorative effects of cranberry (CB) and vitamin C (Vit-C) on PB-induced reproductive toxicity in rats.
Methods: Forty male Wistar rats were divided into five groups.
Cell Physiol Biochem
November 2024
Zoology Department, Faculty of Science, Al-Azhar University, Cairo 11884, Egypt.
Background/aims: Gestational Diabetes Mellitus (GDM), a prevalent complication in pregnancy, is characterized by the Diabetes Association as diabetes diagnosed in the second or third trimester, often remaining asymptomatic. This study investigates the intricate effects of Streptozotocin on pregnant rats, unraveling its impact on Gestational Type 2 Diabetes (GTD). The research delves into the potential therapeutic roles of mesenchymal stem cells (MSCs) and olive leaf extract (OLE) in mitigating the consequences of Streptozotocin-induced pancreatic impairment.
View Article and Find Full Text PDFAnal Chem
December 2024
Department of Chemistry, Wuhan University, Wuhan 430072, China.
MicroRNAs (miRNAs) regulate a myriad of biological processes and thus have been regarded as useful biomarkers in biomedical research and clinical diagnosis. The specific and highly sensitive detection of miRNAs is of significant importance. Herein, a sensitive and rapid dual-amplification elemental labeling single-particle inductively coupled plasma-mass spectrometry (spICP-MS) analytical method based on strand displacement amplification (SDA) and CRISPR/Cas12a was developed for miRNA-21 detection.
View Article and Find Full Text PDFJ Agric Food Chem
December 2024
Department of Environmental Science and Engineering, University of Science and Technology of China, 230026 Hefei, China.
Understanding the environmental fate of chemical herbicides is crucial to sustainable agriculture. Due to their joint-use with nitrogen fertilizers, their residues often coexist with NO in agricultural drainages. In this study, tribenuron-methyl was used as a model to evaluate the role of NO in the phototransformation of chemical herbicides, which was characterized by a two-stage process.
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