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Article

Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7

1
Dipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, Campus “S. Venuta”, Viale Europa, 88100 Catanzaro, Italy
2
Net4Science Academic Spin-Off, Università “Magna Græcia” di Catanzaro, Campus “S. Venuta”, Viale Europa, 88100 Catanzaro, Italy
3
Dipartimento di Medicina Sperimentale e Clinica, Università “Magna Græcia” di Catanzaro, Campus “S. Venuta”, Viale Europa, 88100 Catanzaro, Italy
*
Author to whom correspondence should be addressed.
These authors contributed equally to this work.
Academic Editor: Giulio Rastelli
Molecules 2020, 25(23), 5524; https://doi.org/10.3390/molecules25235524
Received: 24 October 2020 / Revised: 16 November 2020 / Accepted: 23 November 2020 / Published: 25 November 2020
(This article belongs to the Special Issue Repositioning Natural Products in Drug Discovery)
Mushrooms can be considered a valuable source of natural bioactive compounds with potential polypharmacological effects due to their proven antimicrobial, antiviral, antitumor, and antioxidant activities. In order to identify new potential anticancer compounds, an in-house chemical database of molecules extracted from both edible and non-edible fungal species was employed in a virtual screening against the isoform 7 of the Histone deacetylase (HDAC). This target is known to be implicated in different cancer processes, and in particular in both breast and ovarian tumors. In this work, we proposed the ibotenic acid as lead compound for the development of novel HDAC7 inhibitors, due to its antiproliferative activity in human breast cancer cells (MCF-7). These promising results represent the starting point for the discovery and the optimization of new HDAC7 inhibitors and highlight the interesting opportunity to apply the “drug repositioning” paradigm also to natural compounds deriving from mushrooms. View Full-Text
Keywords: mushrooms; HDAC7; cancer; repositioning; structure-based virtual screening; molecular dynamics mushrooms; HDAC7; cancer; repositioning; structure-based virtual screening; molecular dynamics
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MDPI and ACS Style

Maruca, A.; Rocca, R.; Catalano, R.; Mesiti, F.; Costa, G.; Lanzillotta, D.; Salatino, A.; Ortuso, F.; Trapasso, F.; Alcaro, S.; Artese, A. Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7. Molecules 2020, 25, 5524. https://doi.org/10.3390/molecules25235524

AMA Style

Maruca A, Rocca R, Catalano R, Mesiti F, Costa G, Lanzillotta D, Salatino A, Ortuso F, Trapasso F, Alcaro S, Artese A. Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7. Molecules. 2020; 25(23):5524. https://doi.org/10.3390/molecules25235524

Chicago/Turabian Style

Maruca, Annalisa, Roberta Rocca, Raffaella Catalano, Francesco Mesiti, Giosuè Costa, Delia Lanzillotta, Alessandro Salatino, Francesco Ortuso, Francesco Trapasso, Stefano Alcaro, and Anna Artese. 2020. "Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7" Molecules 25, no. 23: 5524. https://doi.org/10.3390/molecules25235524

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