Austalide derivative from marine-derived <i>Aspergillus</i> sp. and evaluation of its cytotoxic and ADME/TOPKAT properties

Elnaggar, Mohamed S.; Elissawy, Ahmed M.; Youssef, Fadia S.; Kicsák, Máté; Kurtán, Tibor; Singab, Abdel Nasser B.; Kalscheuer, Rainer

doi:10.1039/d3ra02632a

Cited by 3 publications

(1 citation statement)

References 39 publications

(78 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This study extends from our previous work on Aspergillus species, resulting in the isolation of different compounds with potent cytotoxicity such as flavoglaucin and austalide Z and larvicidal activity against Culex pipiens , including scopularide A, [12–14] additionally, a comprehensive review emphasized the diverse biological activities of compounds derived from A. terreus , pinpointing the butanolide–butyrolactone and meroterpenoid classes as the two primary categories within the endophytic fungus A. terreus [15]…”

Section: Introductionsupporting

confidence: 61%

Unveiling the Antimicrobial and Larvicidal Potential of Butyrolactones and Orsellinic Acid Derivatives from the Morus alba‐derived Fungus Aspergillus terreus via Integrated In vitro and In silico Approaches

Amr,

Elissawy,

Ibrahim

et al. 2024

Chemistry & Biodiversity

Self Cite

View full text Add to dashboard Cite

The emergence of multi‐drug‐resistant microbial strains spurred the search for antimicrobial agents; as a result, two distinct approaches were combined: four in vitro studies and four corresponding molecular docking investigations. Antituberculosis, anti‐methicillin‐resistant Staphylococcus aureus (anti‐MRSA), antifungal, and larvicidal activities of the crude extract, two fractions, and seven isolated compounds from Aspergillus terreus derived from Morus alba roots were explored. The isolated compounds (5 butyrolactones and 2 orsellinic acid derivatives) showed potent to moderate antitubercular activity with MIC values ranging from 1.95 to 62.5 µg/mL (compared to isoniazid, 0.24 µg/mL) and promising anti‐MRSA potential with inhibition zone diameters ranging from 8 to 25 mm. Additionally, the in silico study proved that the isolated compounds bind to the two corresponding proteins’ active sites with high to moderate –(C‐Docker interaction energies) and stable interactions. The isolated compounds displayed antifungal activities against different fungal strains at diverse degrees of activity, among them compound (8"S,9")‐dihydroxy‐dihydrobutyrolactone I eliciting the best antifungal activity. Meanwhile, all isolated compounds, fractions, and the crude extract demonstrated extremely selective potent to moderate activity against Cryptococcus neoformans. The isolated five butyrolactone derivatives could develop potential mosquito larvicidal agents as a result of promising docking outcomes in the larval enzyme carboxylesterase.

show abstract

Section: Introductionsupporting

confidence: 61%