Anti-Staphylococcus aureus potential of compounds from Ganoderma sp.: A comprehensive molecular docking and simulation approaches

Nguyen, Trang Thi Thu; Nguyen, Trinh Thi Tuyet; Nguyen, Hoang Duc; Nguyen, Tan Khanh; Pham, Phu Tran Vinh; Tran, Linh Thuy Thi; Pham, Hong Khuyen Thi; Truong, Phu Chi Hieu; Tran, Linh Thuoc; Tran, Manh Hung

doi:10.1016/j.heliyon.2024.e28118

Cited by 3 publications

(1 citation statement)

References 47 publications

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“…Research has documented the considerable efficacy of an ethanol extract derived from the stems of A. flava against a wide range of bacterial and fungal strains [3]. The ability of secondary metabolites to obstruct critical biological processes, including protein and cell wall synthesis, is the main factor responsible for these activities [4,5]. In addition, studies have demonstrated that berberine, a compound found in A. flava, inhibits these synthesis pathways [6].…”

Section: Introductionmentioning

confidence: 99%

Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species

Hendra,

Agustha,

Frimayanti

et al. 2024

Molecules

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Considering the escalating resistance to conventional antifungal medications, it is critical to identify novel compounds that can efficiently counteract this challenge. The purpose of this research was to elucidate the fungicidal properties of secondary metabolites derived from Arcangelisia flava, with a specific focus on their efficacy against Candida species. This study utilized a combination approach comprising laboratory simulations and experiments to discern and evaluate the biologically active constituents present in the dichloromethane extract of A. flava. The in vitro experiments demonstrated that compounds 1 (palmatine) and 2 (fibraurin) exhibited antifungal properties. The compounds exhibited minimum inhibitory concentrations (MICs) ranging from 15.62 to 62.5 µg/mL against Candida sp. Moreover, compound 1 demonstrated a minimum fungicidal concentration (MFC) of 62.5 µg/mL against Candida glabrata and C. krusei. In contrast, compound 2 exhibited an MFC of 125 µg/mL against both Candida species. Based on a molecular docking study, it was shown that compounds 1 and 2 have a binding free energy of −6.6377 and −6.7075 kcal/mol, respectively, which indicates a strong affinity and specificity for fungal enzymatic targets. This study utilized pharmacophore modeling and Density Functional Theory (DFT) simulations to better understand the interaction dynamics and structural properties crucial for antifungal activity. The findings underscore the potential of secondary metabolites derived from A. flava to act as a foundation for creating novel and highly efficient antifungal treatments, specifically targeting fungal diseases resistant to existing treatment methods. Thus, the results regarding these compounds can provide references for the next stage in antifungal drug design. Further investigation is necessary to thoroughly evaluate these natural substances’ clinical feasibility and safety characteristics, which show great potential as antifungal agents.

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Section: Introductionmentioning

confidence: 99%

Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species

Hendra,

Agustha,

Frimayanti

et al. 2024

Molecules

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In Vitro Antimicrobial Efficacy Assessment of Ethanolic, Aqueous, and Dual Solvent Extracts of Mushroom Ganoderma lucidum: Genomic and Morphological Analysis

Akamu,

Merrills,

Williams

et al. 2024

Antibiotics

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Background: Infectious diseases caused by bacteria are life-threating and are among the major causes of death in the world. Antibiotics have offered humans a new approach to infection control. Antibiotics are reckoned as the “magic bullets” for the fight against bacterial infections, therefore increasing life expectancy and decreasing mortality and morbidity. However, the overuse of antibiotics has resulted in the persistent growth of resistant bacterial pathogens. New antimicrobial approaches against resistant pathogens are being examined. Mushrooms seem to be a promising, and possibly more efficient, alternative method to that of conventional antimicrobials. This work aimed to investigate the phytochemical constituents and antimicrobial potential of ethanolic, aqueous, and dual solvent extracts of mushroom Ganoderma lucidum. Methods: The antimicrobial studies were carried out by broth dilution against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli. The present research work was also carried out to examine genomic changes associated with ethanolic, aqueous, and dual solvent extracts of G. lucidum in S. aureus and E. coli. Results: Our data quantitatively showed that all the extracts of G. lucidum were found to exhibit various degrees of antimicrobial effects against S. aureus and E. coli where the ethanolic extract exhibited the most potent antimicrobial activity. SEM images showed untreated cells with normal cell characteristics while, after treatment with extracts of G. lucidum, cells appeared damaged with irregular cell surfaces and cell wall defacement. The results of HPLC analysis showed that ethanolic and aqueous extract of G. lucidum consisted of beta[1-3] glucans, ganoderic acid, and triterpenoids. Genomic analysis identified selective sweeps in several genes associated with growth, biosynthesis transport, and stress. Conclusions: This study concludes that the extracts of three solvents of G. lucidum have antimicrobial activity against infectious bacteria causing morphological changes and the acquisition of mutations in genes. Therefore, the extracts of G. lucidum may be candidates for preventing infectious diseases in the future. Ganoderma lucidum mushroom is therefore a reliable source of antimicrobial agent that can be used against infectious diseases.

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Research Progress on the Biological Activity of Ganoderic Acids in Ganoderma lucidum over the Last Five Years

Wang,

Shangguan

et al. 2024

Life

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Ganoderma lucidum (G. lucidum) is a traditional edible and medicinal mushroom in China. The main bioactive components in G. lucidum include triterpenoids, polysaccharides, steroids, and sterols. Ganoderic acids (GAs) are one of the most abundant triterpenoids found in G. lucidum, garnering significant attention from researchers in the fields of medicine and health care. We summarize the extensive studies on the physiological function of GAs in anti-cancer, anti-inflammatory, radiation protection, anti-aging, liver protection, anti-microbial, and neuroprotection areas, among others. This review provides a comprehensive overview of the recent advances in the bioactivities and pharmacological mechanisms of GAs, aiming to delineate the current research directions and the state of the art in this field. This analysis helps to rapidly identify new bioactivities of GAs and understand their mechanisms, leading to more effective treatments for various diseases.

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Anti-Staphylococcus aureus potential of compounds from Ganoderma sp.: A comprehensive molecular docking and simulation approaches

Cited by 3 publications

References 47 publications

Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species

Antifungal Potential of Secondary Metabolites Derived from Arcangelisia flava (L.) Merr.: An Analysis of In Silico Enzymatic Inhibition and In Vitro Efficacy against Candida Species

In Vitro Antimicrobial Efficacy Assessment of Ethanolic, Aqueous, and Dual Solvent Extracts of Mushroom Ganoderma lucidum: Genomic and Morphological Analysis

Research Progress on the Biological Activity of Ganoderic Acids in Ganoderma lucidum over the Last Five Years

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