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001-es BibID:	BIBFORM114471
035-os BibID:	(WoS)001000280800001 (Scopus)85162783510
Első szerző:	Elnaggar, Mohamed S.
Cím:	Austalide derivative from marine-derived Aspergillus sp. and evaluation of its cytotoxic and ADME/TOPKAT properties / Mohamed S. Elnaggar, Ahmed M. Elissawy, Fadia S. Youssef, Máté Kicsák, Tibor Kurtán, Abdel Nasser B. Singab, Rainer Kalscheuer
Dátum:	2023
ISSN:	2046-2069
Megjegyzések:	In-depth chemical investigation of an ethyl acetate extract of Aspergillus sp. isolated from the soft coral Sinularia species resulted in the isolation of one new meroterpenoid, austalide Z (1), one known austalide W (2), six known prenylated indole diketopiperazine alkaloids (3?8), and phthalic acid and its ethyl derivative (9?10). The structures were established by means of 1D and 2D NMR (one- and twodimensional nuclear magnetic resonance) experiments supported by UV analysis and ESI-MS (electrospray ionization mass spectrometry). In vitro cytotoxic evaluation was performed against the Caco-2 cancer cell line using the MTT assay, which showed that the examined compounds had weak to moderate activities, with the new meroterpenoid austalide Z (1) displaying an IC50 value of 51.6 mg mL-1. ADME/TOPKAT (absorption, distribution, metabolism, excretion, and toxicity) predication performed in silico showed that most of the isolated compounds possessed reasonable pharmacokinetic, pharmacodynamic, and toxicity properties. Thus, it can be concluded that Aspergillus sp. could act as a source of drug leads for cancer prevention with promising pharmacokinetic and pharmacodynamic properties and thus could be incorporated in pharmaceutical dosage forms.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk
Megjelenés:	RSC Advances. - 13 : 24 (2023), p. 16480-16487. -
További szerzők:	Elissawy, Ahmed M. Youssef, Fadia S. Kicsák Máté (1990-) (gyógyszerész) Kurtán Tibor (1973-) (vegyész, angol szakfordító) Singab, Abdelnasser Kalscheuer, Rainer
Pályázati támogatás:	K138672 OTKA
Internet cím:	Szerző által megadott URL DOI Intézményi repozitóriumban (DEA) tárolt változat
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