Endophytic Aspergillus sp. from Phragmites australis: A source of DNA gyrase inhibitors with antibiofilm, antioxidant, and cytotoxic potentials: in vitro supported by in silico

Theodor Bilharz Research Institute

Bibliographic Information

Authors: Bukhari S.I.; Ghareeb M.A.; Omran M.E.; Riad O.K.M.; Selim H.M.R.M.; Bukhari G.; Diab N.S.; Mahmoud M.M.; Soliman N.R.; Saleh A.; Hamed A.A.

Journal: Biocatalysis and Agricultural Biotechnology

Publisher: Elsevier Ltd

Publication Date: November 2025

Volume / Issue: Volume 69

Article No.: 103745

ISSN: 18788181

DOI: 10.1016/j.bcab.2025.103745

Scopus: View on Scopus

Document Type: Article

Authors and Affiliations

Bukhari S.I., Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia; Ghareeb M.A., Medicinal Chemistry Department, Theodor Bilharz Research Institute, Kornaish El-Nile, Warrak El-Hadar, Imbaba P.O. Box 30, Giza, 12411, Egypt; Omran M.E., Department of Microbiology and Immunology, Faculty of Pharmacy (Girls), Al-Azhar University, Cairo, Nasr City, Egypt; Riad O.K.M., Department of Microbiology and Immunology, Faculty of Pharmacy (Girls), Al-Azhar University, Cairo, Nasr City, Egypt; Selim H.M.R.M., Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh, 13713, Saudi Arabia; Bukhari G., Biological Sciences Department, College of Science & Arts, King Abdulaziz University, Rabigh, 21911, Saudi Arabia; Diab N.S., Laboratory Department, Children Hospital, Faculty of Medicine, Mansoura University, Mansoura, 35516, Egypt; Mahmoud M.M., EcoHealth Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah, 21589, Saudi Arabia, Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah, 21589, Saudi Arabia; Soliman N.R., Dairy Science Department, National Research Center, Dokki, Cairo, Egypt; Saleh A., Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia; Hamed A.A., Microbial Chemistry Department, National Research Centre, Dokki, Cairo, 12622, Egypt

Abstract

A fungal isolate, AHMSH2, was obtained from Phragmites australis collected in El-Beheira, Egypt, and identified as Aspergillus sp. via 18S rRNA gene sequencing (GenBank: PQ432869.1). Large-scale fermentation on potato dextrose broth followed by GC-MS profiling revealed 49 metabolites, with canthaxanthin as a dominant compound. Crude extracts exhibited selective antimicrobial activity, with moderate inhibition against Escherichia coli and limited effects on other pathogens. Notably, antibiofilm assays exhibited a marked suppressive effect on Escherichia coli, Staphylococcus aureus, and Bacillus subtilis. Antioxidant screening via DPPH radical scavenging yielded a maximum inhibition of 43.01 %. DNA Gyrase-B inhibition assays confirmed a potent IC50 of 5.23 μg/mL, while molecular docking of canthaxanthin indicated a stable binding affinity of −8.1 kcal/mol with essential interactions at the ATP-binding pocket. Additional docking against OMPX (1QJ8) highlighted hydrophobic and hydrogen bond contributions. In vitro, cytotoxicity showed selective effects on UO-31 renal cancer cells (IC50 = 26.58 μg/mL). ADME and toxicity profiling revealed favorable intestinal absorption and metabolic stability, though lipophilicity and CYP3A4 interaction warrant formulation adjustment. The extract's multi-target potential highlights Aspergillus sp. AHMSH2 is a promising source of pharmacologically active metabolites. © 2025 Elsevier Ltd

Keywords

Antioxidant; Aspergillus sp.; Cytotoxic potentials; DNA gyrase; Docking; Insilico ADME

Citation Information

Scopus Citations: 1

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