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基于计算机模拟研究和核磁共振光谱法对从艾氏肉芝软珊瑚内生黄曲霉分离得到的代谢产物的抗菌活性研究

Antimicrobial activities of metabolites isolated from endophytic Aspergillus flavus of Sarcophyton ehrenbergi supported by in-silico study and NMR spectroscopy.

作者信息

Singab Abdel Nasser B, Elkhawas Yasmin A, Al-Sayed Eman, Elissawy Ahmed M, Fawzy Iten M, Mostafa Nada M

机构信息

Department of Pharmacognosy, Faculty of Pharmacy, Ain-Shams University, Cairo, 11566, Egypt.

Center of Drug Discovery Research and Development, Ain-Shams University, Cairo, 11566, Egypt.

出版信息

Fungal Biol Biotechnol. 2023 Aug 2;10(1):16. doi: 10.1186/s40694-023-00161-2.

DOI:10.1186/s40694-023-00161-2
PMID:37533082
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10394880/
Abstract

BACKGROUND

Endophytic Aspergillus species produce countless valuable bioactive secondary metabolites. In the current study, Aspergillus flavus an endophyte from the soft coral Sarcophyton ehrenbergi was chemically explored and the extracted phytoconstituents were subsequently evaluated for antimicrobial activity. This is accomplished by employing nuclear magnetic resonance (NMR) spectroscopy and computational techniques. Additionally, An in vitro anticancer analysis of A. flavus total extract against breast cancer cells (MCF-7) was investigated.

RESULT

Six compounds were separated from the crude alcohol extract of the endophytic Aspergillus flavus out of which anhydro-mevalonolactone was reported for the first time. The anti-fungal and anti-Helicobacter pylori properties of two distinct compounds (Scopularides A and B) were assessed. Additionally, computational research was done to identify the binding mechanisms for all compounds. Both the compounds were found to be active against H. pylori with minimum inhibitory concentration (MIC) values ranging from 7.81 to 15.63 µg/ mL as compared with clarithromycin 1.95 µg/ mL. Scopularides A was potent against both Candida albicans and Aspergillus niger with MIC values ranging from 3.9 to 31.25 µg/ mL, while scopularides B only inhibits Candida albicans with MIC value of 15.63 µg/ mL and weak inhibitory activity against A. niger (MIC = 125 µg/ mL). Furthermore, cytotoxic activity showed a significant effect (IC: 30.46 mg/mL) against MCF-7 cells.

CONCLUSION

Our findings report that cytotoxic activity and molecular docking support the antimicrobial activity of Aspergillus flavus, which could be a promising alternative source as a potential antimicrobial agent.

摘要

背景

内生曲霉属物种产生无数有价值的生物活性次生代谢产物。在本研究中,对从软珊瑚埃氏肉芝软珊瑚中分离出的内生黄曲霉进行了化学研究,并对提取的植物成分进行了抗菌活性评估。这是通过核磁共振(NMR)光谱和计算技术完成的。此外,还研究了黄曲霉总提取物对乳腺癌细胞(MCF-7)的体外抗癌分析。

结果

从内生黄曲霉的粗乙醇提取物中分离出6种化合物,其中脱水甲羟戊酸内酯为首次报道。评估了两种不同化合物(帚状菌素A和B)的抗真菌和抗幽门螺杆菌特性。此外,还进行了计算研究以确定所有化合物的结合机制。发现这两种化合物均对幽门螺杆菌有活性,最低抑菌浓度(MIC)值在7.81至15.63μg/mL之间,而克拉霉素为1.95μg/mL。帚状菌素A对白色念珠菌和黑曲霉均有强效,MIC值在3.9至31.25μg/mL之间,而帚状菌素B仅抑制白色念珠菌,MIC值为15.63μg/mL,对黑曲霉的抑制活性较弱(MIC = 125μg/mL)。此外,细胞毒性活性对MCF-7细胞显示出显著影响(IC:30.46mg/mL)。

结论

我们的研究结果表明,细胞毒性活性和分子对接支持黄曲霉的抗菌活性,它可能是一种有前途的潜在抗菌剂替代来源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/d398d26fc85b/40694_2023_161_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/d18df6eec5be/40694_2023_161_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/772a52a51f2f/40694_2023_161_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/3822075bcf7d/40694_2023_161_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/9f8974318754/40694_2023_161_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/06f3446c7b39/40694_2023_161_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/3b41a5fc3e0d/40694_2023_161_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/d398d26fc85b/40694_2023_161_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/d18df6eec5be/40694_2023_161_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/772a52a51f2f/40694_2023_161_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/3822075bcf7d/40694_2023_161_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/9f8974318754/40694_2023_161_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/06f3446c7b39/40694_2023_161_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/3b41a5fc3e0d/40694_2023_161_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c82/10394880/d398d26fc85b/40694_2023_161_Fig7_HTML.jpg

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