Abstract
Mushrooms are widely-consumed fungi which contain natural compounds that can be used both for their nutritive and medicinal properties, i.e., taking advantage of their antimicrobial, antiviral, antitumor, anti-allergic, immunomodulation, anti-inflammatory, anti-atherogenic, hypoglycemic, hepatoprotective and antioxidant effects. Currently, scientific interest in natural compounds extracted from the fungal species is increasing because these compounds are also known to have pharmacological/biological activity. Unfortunately, however, their mechanisms of action are often unknown, not well understood or have not been investigated in their entirety. Given the poly-pharmacological properties of bioactive fungal compounds, it was decided to carry out a multi-targeted approach to predict possible interactions occurring among bioactive natural fungal extracts and several macromolecular targets that are therapeutically interesting, i.e., proteins, enzymes and nucleic acids. A chemical database of compounds extracted from both edible and no-edible mushrooms was created. This database was virtually screened against 43 macromolecular targets downloaded from the Protein Data Bank website. The aim of this work is to provide a molecular description of the main interactions involving ligand/multi-target recognition in order to understand the polypharmacological profile of the most interesting fungal extracts and to suggest a design strategy of new multi-target agents.
Highlights
The term “mushroom” does not refer to a taxonomic category
Docking were carried out to give theoretical species comprehension of their activity studies and to guide the design of a theoretical comprehension of(MTAs). Their polypharmacological to guide were the design of promising new multi-target agents models used for the activity virtualand screening divided into promising new multi-target agents (MTAs)
Four categories based on their therapeutic implications: (a) targets involved in cancer, (b) neuronal
Summary
The term “mushroom” does not refer to a taxonomic category. From a taxonomic point of view, mushrooms are mainly represented by basidiomycetes and some species of ascomycetes. The number of mushroom species distributed on Earth is estimated to be 140 K, only 22 K are known and approximately 7000 have the potential to benefit humanity [2]. Several studies have shown that mushrooms possess various bioactivities (mainly, but not limited to) antioxidant, anti-inflammatory, anticancer, immunomodulatory, antimicrobial, hepatoprotective, and antidiabetic properties. It appears that mushrooms could be considered a functional food that can be consumed to prevent and treat several chronic diseases, such as cancer, diabetes mellitus
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