An integrated strategy combining UPLC-MS/MS, chemometrics, molecular docking, and molecular dynamics simulation for metabolic profiling of onion (Allium cepa L.) cultivars and unravelling potential anti-COVID-19 metabolites
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Title
An integrated strategy combining UPLC-MS/MS, chemometrics, molecular docking, and molecular dynamics simulation for metabolic profiling of onion (Allium cepa L.) cultivars and unravelling potential anti-COVID-19 metabolites
Authors
Keywords
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Journal
SOUTH AFRICAN JOURNAL OF BOTANY
Volume 162, Issue -, Pages 885-900
Publisher
Elsevier BV
Online
2023-10-14
DOI
10.1016/j.sajb.2023.10.011
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Note: Only part of the references are listed.- SARS-CoV-2 Envelope (E) Protein Binds and Activates TLR2 Pathway: A Novel Molecular Target for COVID-19 Interventions
- (2022) Rémi Planès et al. Viruses-Basel
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- (2022) Michał Ochnik et al. Pharmaceuticals
- Emergence of SARS‐CoV‐2 Omicron BA.5 variant of concern in Western Pennsylvania, United States
- (2022) Tung Phan et al. JOURNAL OF MEDICAL VIROLOGY
- BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection
- (2022) Yunlong Cao et al. NATURE
- Equilibrium of Tiered Healthcare Resources during the COVID-19 Pandemic in China: A Case Study of Taiyuan, Shanxi Province
- (2022) Xueling Wu et al. International Journal of Environmental Research and Public Health
- In Vitro Bioaccessibility and Anti-Inflammatory Activity of a Chemically Characterized Allium cepa L. Extract Rich in Quercetin Derivatives Optimized by the Design of Experiments
- (2022) Hammad Ullah et al. MOLECULES
- Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP
- (2021) Katerina Naydenova et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Onion Peel: Turning a Food Waste into a Resource
- (2021) Rita Celano et al. Antioxidants
- Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein
- (2021) Foysal Ahammad et al. BRIEFINGS IN BIOINFORMATICS
- In silico evaluation of potential inhibitory activity of remdesivir, favipiravir, ribavirin and galidesivir active forms on SARS-CoV-2 RNA polymerase
- (2021) Ismail Celik et al. MOLECULAR DIVERSITY
- Chlorogenic acid, a natural product as potential inhibitor of COVID-19: virtual screening experiment based on network pharmacology and molecular docking
- (2021) Wen-Xiang Wang et al. NATURAL PRODUCT RESEARCH
- Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease
- (2021) Mebarka Ouassaf et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2
- (2021) Seyyed Sasan Mousavi et al. MOLECULES
- Kaempferol inhibits Pseudorabies virus replication in vitro through regulation of MAPKs and NF-κB signaling pathways
- (2021) Xu CHEN et al. Journal of Integrative Agriculture
- Micronutrients for potential therapeutic use against COVID-19; a review
- (2021) Richard A. Giovane et al. Clinical Nutrition ESPEN
- Integrative Analyses of Widely Targeted Metabolic Profiling and Transcriptome Data Reveals Molecular Insight into Metabolomic Variations during Apple (Malus domestica) Fruit Development and Ripening
- (2020) Jidi Xu et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- RNA‐dependent RNA polymerase of SARS‐CoV‐2 as a therapeutic target
- (2020) Yanyan Wang et al. JOURNAL OF MEDICAL VIROLOGY
- RNA-dependent RNA polymerase: Structure, mechanism, and drug discovery for COVID-19
- (2020) Yi Jiang et al. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
- Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds
- (2020) Konda Mani Saravanan et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Efficacy-directed discrimination of the essential oils of three Juniperus species based on their in-vitro antimicrobial and anti-inflammatory activities
- (2020) Reham S. Darwish et al. JOURNAL OF ETHNOPHARMACOLOGY
- Structural basis of antiviral activity of caffeic acid against severe fever with thrombocytopenia syndrome virus
- (2020) Motohiko Ogawa et al. JOURNAL OF INFECTION AND CHEMOTHERAPY
- Antiviral potential of garlic (Allium sativum) and its organosulfur compounds: A systematic update of pre-clinical and clinical data
- (2020) Razina Rouf et al. TRENDS IN FOOD SCIENCE & TECHNOLOGY
- Antiviral activity of a novel mixture of natural antimicrobials, in vitro, and in a chicken infection model in vivo
- (2020) Igori Balta et al. Scientific Reports
- In silico identification of Tretinoin as a SARS-CoV-2 envelope (E) protein ion channel inhibitor
- (2020) Debajit Dey et al. COMPUTERS IN BIOLOGY AND MEDICINE
- Remdesivir Is Effective in Combating COVID-19 because It Is a Better Substrate than ATP for the Viral RNA-Dependent RNA Polymerase
- (2020) Tyler L. Dangerfield et al. iScience
- Response surface methodology to optimize supercritical carbon dioxide/co-solvent extraction of brown onion skin by-product as source of nutraceutical compounds
- (2018) Luca Campone et al. FOOD CHEMISTRY
- Traditional and modern uses of onion bulb (Allium cepa L.): A systematic review
- (2018) Joaheer D. Teshika et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Deep Annotation of Hydroxycinnamic Acid Amides in Plants Based on Ultra-High-Performance Liquid Chromatography–High-Resolution Mass Spectrometry and Its In Silico Database
- (2018) Zaifang Li et al. ANALYTICAL CHEMISTRY
- Genetics of bulb colour variation and flavonoids in onion
- (2018) Kiran Khandagale et al. JOURNAL OF HORTICULTURAL SCIENCE & BIOTECHNOLOGY
- Comparison of high performance anion exchange chromatography with pulsed amperometric detection (HPAEC-PAD) and ultra-high performance liquid chromatography with evaporative light scattering (UHPLC-ELSD) for the analyses of fructooligosaccharides in onion ( Allium cepa L.)
- (2017) Tobias Pöhnl et al. JOURNAL OF FOOD COMPOSITION AND ANALYSIS
- Comprehensive metabolite profiling of onion bulbs (Allium cepa) using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry
- (2017) Christoph Böttcher et al. Metabolomics
- Porcine Rotaviruses: Epidemiology, Immune Responses and Control Strategies
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- Analysis of a series of chlorogenic acid isomers using differential ion mobility and tandem mass spectrometry
- (2016) Jamie L. Willems et al. ANALYTICA CHIMICA ACTA
- Development and virucidal activity of a novel alcohol-based hand disinfectant supplemented with urea and citric acid
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- (2014) Shivraj Hariram Nile et al. Frontiers in Life Science
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- (2013) Hafiz Ansar Rasul Suleria et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Increasing the Added-Value of Onions as a Source of Antioxidant Flavonoids: A Critical Review
- (2013) M. R. Pérez-Gregorio et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
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- Identification and Quantitation of Unsaturated Fatty Acid Isomers by Electrospray Ionization Tandem Mass Spectrometry: A Shotgun Lipidomics Approach
- (2011) Kui Yang et al. ANALYTICAL CHEMISTRY
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- Improved side-chain torsion potentials for the Amber ff99SB protein force field
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- Content of quercetin glycosides and fructooligosaccharides in onion stored in a cold room
- (2009) Katarzyna Grzelak et al. EUROPEAN FOOD RESEARCH AND TECHNOLOGY
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