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Wyświetlanie 1-2 z 2
Tytuł:
Compositional profiling and molecular docking studies of Eucalyptus polybrachtea essential oil against mucormycosis and aspergillosis
Autorzy:
Sharma, Arun Dev
Kaur, Inderjeet
Chauhan, Amrita
Powiązania:
https://bibliotekanauki.pl/articles/16710066.pdf
Data publikacji:
2023
Wydawca:
Polska Akademia Nauk. Czasopisma i Monografie PAN
Tematy:
aspergillosis
mucormycosis
eucalyptus oil
herbal drug
Opis:
Essential oil (EO) from Eucalyptus polybrachtea is used as complementary and traditional medicine worldwide. The present study aimed at compositional profiling of EO and molecular docking of EO’s bioactive compound 1,8 cineole against fungal enzymes involved in the riboflavin synthesis pathway, namely riboflavin synthase (RS), riboflavin biosynthesis protein RibD domain-containing protein (RibD), and 3,4-dihydroxy-2-butanone 4-phosphate synthase (DBPS) as apposite sites for drug designing against aspergillosis and mucormycosis, and in vitro confirmation. The compositional profile of EO was completed by GC-FID analysis. For molecular docking, the Patchdock tool was used. The ligand-enzyme 3-D interactions were examined, and ADMET properties (absorption, distribution, metabolism, excretion, and toxicity) were calculated. GC-FID discovered the occurrence of 1,8 cineole as a major component in EO, which was subsequently used for docking analysis. The docking analysis revealed that 1,8 cineole actively bound to RS, RibD, and DBPS fungal enzymes. The results of the docking studies demonstrated that the ligand 1,8 cineole exhibited H-bond and hydrophobic interactions with RS, RibD, and DBPS fungal enzymes. 1,8 cineole obeyed Lpinsky’s rule and exhibited adequate bioactivity. Wet-lab authentication was achieved by using three fungal strains: Aspergillus niger, Aspergillus oryzae, and Mucor sp. Wet lab results indicated that EO was able to inhibit fungal growth.
Źródło:
BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology; 2023, 104, 3; 233-245
0860-7796
Pojawia się w:
BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Comparative phytochemistry, antioxidant, antidiabetic, and anti-inflammatory activities of traditionally used Ocimum basilicum L. Ocimum gratissimum L., and Ocimum tenuiflorum L.
Autorzy:
Sharma, Arun Dev
Kaur, Inderjeet
Angish, Sooraj
Thakur, Alisha
Sania, Sania
Singh, Amritpal
Powiązania:
https://bibliotekanauki.pl/articles/16648104.pdf
Data publikacji:
2022
Wydawca:
Polska Akademia Nauk. Czasopisma i Monografie PAN
Tematy:
antioxidants
anti-inflammatory
antidiabetic
Ocimum
Opis:
Ocimum spp. are the widely studied herbal plants because of their diverse biological activities. The present study aimed at comparative extraction of secondary metabolites and evaluation of their biological activities in different solvents such as acetone, ethanol, methanol, and water. Three Ocimum species, namely Ocimum basilicum L. (Green tulsi), Ocimum gratissimum L. (Jungli tulsi), and Ocimum tenuiflorum (Black tulsi), were selected for this study. Leaf extracts from dried powder of these species were prepared in different solvents. The contents of total phenolics, flavonoids, and total condensed tannins were estimated using standard assays. Fingerprint analysis using UV, Fourier transform infrared (FT-IR), and fluorescent spectroscopy was also conducted. Total antioxidant, antidiabetic, and anti-inflammatory activities of the extracts were evaluated. Fingerprint analysis indicated the presence of a sufficient level of polyphenolics in all the solvent extracts. Among all the solvents, acetone provided a higher yield of phenolics, flavonoids, and tannins in all Ocimum species. Black Ocimum showed the maximum level of antioxidants. All Ocimum extracts exhibited a sufficient level of antidiabetic and anti-inflammatory activities. The results indicated that by using appropriate solvents, bioactive compounds from Ocimum species can be extracted and used as therapeutic agents with potential biological activities.
Źródło:
BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology; 2022, 103, 2; 131-142
0860-7796
Pojawia się w:
BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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