دورية أكاديمية

Integrated metabolomic analysis and molecular docking: Unveiling the potential of Nephrolepis exaltata (L.) Schott phytocompounds for mosquito control via glutathione-S-transferase targeting.

التفاصيل البيبلوغرافية
العنوان: Integrated metabolomic analysis and molecular docking: Unveiling the potential of Nephrolepis exaltata (L.) Schott phytocompounds for mosquito control via glutathione-S-transferase targeting.
المؤلفون: Ebeed H; Botany and Microbiology Department, Faculty of Science, Damietta University, Damietta 34517, Egypt; National Biotechnology Network of Expertise (NBNE), Academy of Scientific Research and Technology (ASRT), Cairo, Egypt. Electronic address: hebeed@du.edu.eg., Baz M; Department of Entomology, Faculty of Science, Benha University, Benha 13518, Egypt., Habib E; Botany and Microbiology Department, Faculty of Science, Damietta University, Damietta 34517, Egypt., Prabhu S; Division of Phytochemistry and Drug Design, Department of Biosciences, Rajagiri College of Social Sciences, Cochin 683 104, Kerala, India., Ceasar SA; Division of Plant Molecular Biology and Biotechnology, Department of Biosciences, Rajagiri College of Social Sciences, Cochin, 683 104, Kerala, India.
المصدر: International journal of biological macromolecules [Int J Biol Macromol] 2024 Jul; Vol. 273 (Pt 2), pp. 133072. Date of Electronic Publication: 2024 Jun 15.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 7909578 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0003 (Electronic) Linking ISSN: 01418130 NLM ISO Abbreviation: Int J Biol Macromol Subsets: MEDLINE
أسماء مطبوعة: Publication: Amsterdam : Elsevier
Original Publication: Guildford, Eng., IPC Science and Technology Press.
مواضيع طبية MeSH: Glutathione Transferase*/metabolism , Mosquito Control*/methods , Plant Extracts*/pharmacology , Plant Extracts*/chemistry, Animals ; Culex/drug effects ; Culex/enzymology ; Insecticides/chemistry ; Insecticides/pharmacology ; Larva/drug effects ; Metabolome/drug effects ; Metabolomics/methods ; Molecular Docking Simulation ; Phytochemicals/pharmacology ; Phytochemicals/chemistry
مستخلص: Plants contain a wide range of potential phytochemicals that are target-specific, and less toxic to human health. The present study aims to investigate the metabolomic profile of Nephrolepis exaltata (L.) Schott and its potential for mosquito control by targeting Glutathione-S-Transferase, focusing on the larvicidal activity against Culex pipiens. Crude extracts (CEs) were prepared using ethanol, ethyl acetate and n-hexane. CEs have been used for assessment of mosquitocidal bioassay. The metabolomic analyses for CEs were characterized for each CE by gas chromatography-mass spectrometry (GC-MS). The most efficient CE with the highest larval mortality and the least LC 50 was the hexane CE. Then, alkaline phosphatase (ALP) activity, and glutathione-S-transferase (GST) activity were assessed in larvae treated with the hexane CE. The results demonstrated a decline in protein content, induction of ALP activity, and reduction in GST activity. Finally, molecular docking and dynamic simulation techniques were employed to evaluate the interaction between the hexane phytochemicals and the GST protein. D-(+)-Glucuronic acid, 3TMS derivative and Sebacic acid, 2TMS derivative showed best binding affinities to GST protein pointing to their interference with the enzyme detoxification functions, potentially leading to reduced ability to metabolize insecticides.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier B.V. All rights reserved.)
فهرسة مساهمة: Keywords: Glutathione-S-transferase; Larvicidal; Molecular docking; Molecular dynamics; Nephrolepis exaltata; Phytochemicals
المشرفين على المادة: EC 2.5.1.18 (Glutathione Transferase)
0 (Insecticides)
0 (Phytochemicals)
0 (Plant Extracts)
تواريخ الأحداث: Date Created: 20240617 Date Completed: 20240706 Latest Revision: 20240730
رمز التحديث: 20240730
DOI: 10.1016/j.ijbiomac.2024.133072
PMID: 38885861
قاعدة البيانات: MEDLINE
الوصف
تدمد:1879-0003
DOI:10.1016/j.ijbiomac.2024.133072