ArticleMolecules (Basel, Switzerland)2015
Molecular docking and multivariate analysis of xanthones as antimicrobial and antiviral agents.
Article in Molecules (Basel, Switzerland), 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Mechanisms, therapeutic strategies, and emerging therapeutic alternatives for carbapenem resistance in Gram-negative bacteria.Archives of microbiology · 2025Review
- Synthesis, characterization, antimicrobial, antioxidant, and antiinflammatory evaluation and molecular docking studies of N-((2-hydroxy-3-(2-(substitutedbenzylidene)hydrazine-1-carbonyl)naphthalen-1-yl)(3-nitrophenyl/3,4-dimethoxyphenyl)methyl)acetamide derivatives.Turkish journal of chemistry · 2025Article
- A Mechanistic Review on Protective Effects of Mangosteen and its Xanthones Against Hazardous Materials and Toxins.Current neuropharmacology · 2024Review
- A Review of the Influence of Various Extraction Techniques and the Biological Effects of the Xanthones from Mangosteen (Molecules (Basel, Switzerland) · 2022Review
- Anti-dengue Potential of Mangiferin: Intricate Network of Dengue to Human Genes.Revista brasileira de farmacognosia : orgao oficial da Sociedade Brasileira de Farmacognosia · 2022Article
- Vanadate inhibits Feo-mediated iron transport in Vibrio cholerae.Metallomics : integrated biometal science · 2021Article
- Virucidal activity of Garcinia parvifolia leaf extracts in animal cell culture.BMC complementary and alternative medicine · 2019Article
- Antiviral Activity ofJournal of tropical medicine · 2017Article
- The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals.Antibiotics (Basel, Switzerland) · 2016Article
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2 authors.
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Abstract
Xanthones are secondary metabolites which have drawn considerable interest over the last decades due to their antimicrobial properties, among others. A great number of this kind of compounds has been therefore reported, but there is a limited amount of studies on screening for biological activity. Thus, as part of our research on antimicrobial agents of natural origin, a set of 272 xanthones were submitted to molecular docking (MD) calculations with a group of seven fungal and two viral enzymes. The results indicated that prenylated xanthones are important hits for inhibition of the analyzed enzymes. The MD scores were also analyzed by multivariate statistics. Important structural details were found to be crucial for the inhibition of the tested enzymes by the xanthones. In addition, the classification of active xanthones can be achieved by statistical analysis on molecular docking scores by an affinity-antifungal activity relationship approach. The obtained results therefore are a suitable starting point for the development of antifungal and antiviral agents based on xanthones.
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