Naturally Occurring Xanthones; Biological Activities, Chemical Profiles and In Silico Drug Discovery

  • Authors: El-Seedi H.1, Ibrahim H.2, Yosri N.3, Ibrahim M.4, Hegazy M.5, Setzer W.6, Guo Z.7, Zou X.7, Refaey M.8, Salem S.9, Musharraf S.10, Saeed A.11, Salem S.12, Xu B.13, Zhao C.14, Khalifa S.15
  • Affiliations:
    1. International Research Center for Food Nutrition and Safety, Jiangsu University
    2. Department of Chemistry, Faculty of Science, Menoufia University
    3. Chemistry of Natural Products, Research Institute of Medicinal and Aromatic Plants (RIMAP), Beni-Suef University
    4. Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University
    5. Department of Pharmaceutical Biology, Institute of Pharmacy and Biochemistry, Johannes Gutenberg University,
    6. Department of Chemistry, University of Alabama in Huntsville
    7. Key Laboratory of Modern Agricultural Equipment and Technology, Ministry of Education, School of Food and Biological Engineering, Jiangsu University
    8. Department of Pharmacognosy, Faculty of Pharmacy, University of Sadat City
    9. Clinical department, faculty of pharmacy,Cairo University
    10. H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi
    11. Chemistry Department, Quaid-i-Azam University
    12. Faculty of Pharmacy, The British University in Egypt
    13. Food Science and Technology Program, BNU-HKBU United International College
    14. College of Food Science, Fujian Agriculture and Forestry University
    15. Department of Molecular Biosciences, The Wenner-Gren Institute, Stockholm University
  • Issue: Vol 31, No 1 (2024)
  • Pages: 62-101
  • Section: Anti-Infectives and Infectious Diseases
  • URL: https://rjmseer.com/0929-8673/article/view/644118
  • DOI: https://doi.org/10.2174/0929867330666230221111941
  • ID: 644118

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Full Text

Abstract

Xanthones are widely distributed polyphenols, present commonly in higher plants; Garcinia, Calophyllum, Hypericum, Platonia, Mangifera, Gentiana and Swertia. Xanthone tricyclic scaffold is able to interact with different biological targets, showing antibacterial and cytotoxic effects, as well as potent effects against osteoarthritis, malaria, and cardiovascular diseases. Thus, in this article we focused on pharmacological effects, applications and preclinical studies with the recent updates of xanthon´s isolated compounds from 2017-2020. We found that only α-mangostin, gambogic acid, and mangiferin, have been subjected to preclinical studies with particular emphasis on the development of anticancer, diabetes, antimicrobial and hepatoprotective therapeutics. Molecular docking calculations were performed to predict the binding affinities of xanthone-derived compounds against SARS-CoV-2 Mpro. According to the results, cratoxanthone E and morellic acid demonstrated promising binding affinities towards SARS-CoV-2 Mpro with docking scores of −11.2 and −11.0 kcal/mol, respectively. Binding features manifested the capability of cratoxanthone E and morellic acid to exhibit nine and five hydrogen bonds, respectively, with the key amino acids of the Mpro active site. In conclusion, cratoxanthone E and morellic acid are promising anti-COVID-19 drug candidates that warrant further detailed in vivo experimental estimation and clinical assessment.

About the authors

Hesham El-Seedi

International Research Center for Food Nutrition and Safety, Jiangsu University

Author for correspondence.
Email: info@benthamscience.net

Hasnaa Ibrahim

Department of Chemistry, Faculty of Science, Menoufia University

Email: info@benthamscience.net

Nermeen Yosri

Chemistry of Natural Products, Research Institute of Medicinal and Aromatic Plants (RIMAP), Beni-Suef University

Email: info@benthamscience.net

Mahmoud Ibrahim

Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University

Email: info@benthamscience.net

Mohamed-Elamir Hegazy

Department of Pharmaceutical Biology, Institute of Pharmacy and Biochemistry, Johannes Gutenberg University,

Email: info@benthamscience.net

William Setzer

Department of Chemistry, University of Alabama in Huntsville

Email: info@benthamscience.net

Zhiming Guo

Key Laboratory of Modern Agricultural Equipment and Technology, Ministry of Education, School of Food and Biological Engineering, Jiangsu University

Email: info@benthamscience.net

Xiaobo Zou

Key Laboratory of Modern Agricultural Equipment and Technology, Ministry of Education, School of Food and Biological Engineering, Jiangsu University

Email: info@benthamscience.net

Mohamed Refaey

Department of Pharmacognosy, Faculty of Pharmacy, University of Sadat City

Email: info@benthamscience.net

Suhila Salem

Clinical department, faculty of pharmacy,Cairo University

Email: info@benthamscience.net

Syed Musharraf

H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi

Email: info@benthamscience.net

Aamer Saeed

Chemistry Department, Quaid-i-Azam University

Email: info@benthamscience.net

Sara Salem

Faculty of Pharmacy, The British University in Egypt

Email: info@benthamscience.net

Baojun Xu

Food Science and Technology Program, BNU-HKBU United International College

Email: info@benthamscience.net

Chao Zhao

College of Food Science, Fujian Agriculture and Forestry University

Email: info@benthamscience.net

Shaden Khalifa

Department of Molecular Biosciences, The Wenner-Gren Institute, Stockholm University

Author for correspondence.
Email: info@benthamscience.net

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