Abstract
The research investigated the possible antifungal behavior of forty-four truffles bioactive compounds conducted to investigate the interaction modes of these inhibitors against three different types of the fungal proteins: Candida albicans, Blastomyces dermatitidis, and Ganoderma microsporum. The applied method in contrast to ketoconazole and griseofulvin revealed the possible anti-fungal agents ergosterol, Catechin gallate and rutin. With respect to Candida Albicans, the maximum possible binding energy was ergosterol (-11.75 Kcal/mol), followed then by catechin gallate (-11.46 Kcal/mol) then rutin (-9.90 Kcal/mol). Compared to Blastomyces, Ganoderma microsporum fungal protein with most negative binding energy among other components of the truffle is found to be of a relatively similar behavior for the same compounds. Ergosterol demonstrated the highest binding capacity for dermatitidis, while rutin scored the lowest against Ganoderma microsporum. The possible anti-fungal components of desert truffle have yet to be studied in vitro in the future.
Highlights
Discovering new medicines derived from natural plants is becoming more popular nowadays
The docked structures of ergosterol, catechin gallate, and rutin in with the Candida Albicans proteins are represented in Fig. 1A and B
Hydrophobic interaction represents the main type of interactions between the hydrophobic backbone of ergosterol and the amino acids inside the active site of Candida Albicans protein (3NK9.PDB)
Summary
Discovering new medicines derived from natural plants is becoming more popular nowadays. Microbiologists, phytochemists and botanists are exploring the environment for phytochemical ingredients that could be utilized in the treatment of infections [1]. In the last 3 decades only one group of new antifungal drugs has been reported in published material in addition to the already available, for clinical practice, three classes of anti-fungal drugs. There are limited choices for the treatment of fungal diseases. There is a substantial obstacle to the development of novel antifungal drugs [2]. In view of many similarities that exist between the fungal and the human cells, identification of the novel drug targets become even more difficult [3]
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