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Article

Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis

by
Amal A. Al Mousa
1,*,
Mohamed E. Abouelela
2,
Nadaa S. Al Ghamidi
1,
Youssef Abo-Dahab
3,
Hassan Mohamed
4,
Nageh F. Abo-Dahab
4 and
Abdallah M. A. Hassane
4,*
1
Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 145111, Riyadh 4545, Saudi Arabia
2
Department of Pharmacognosy, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo P.O. Box 11884, Egypt
3
Ministry of Health and Populations, Cairo P.O. Box 11516, Egypt
4
Botany and Microbiology Department, Faculty of Science, Al-Azhar University, Assiut 71524, Egypt
*
Authors to whom correspondence should be addressed.
Curr. Issues Mol. Biol. 2024, 46(1), 221-243; https://doi.org/10.3390/cimb46010016
Submission received: 4 December 2023 / Revised: 22 December 2023 / Accepted: 25 December 2023 / Published: 28 December 2023
(This article belongs to the Section Bioorganic Chemistry and Medicinal Chemistry)
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Abstract

Staphylococcus and Candida are recognized as causative agents in numerous diseases, and the rise of multidrug-resistant strains emphasizes the need to explore natural sources, such as fungi, for effective antimicrobial agents. This study aims to assess the in vitro anti-staphylococcal and anti-candidal potential of ethyl acetate extracts from various soil-derived fungal isolates. The investigation includes isolating and identifying fungal strains as well as determining their antioxidative activities, characterizing their phenolic substances through HPLC analysis, and conducting in silico molecular docking assessments of the phenolics’ binding affinities to the target proteins, Staphylococcus aureus tyrosyl-tRNA synthetase and Candida albicans secreted aspartic protease 2. Out of nine fungal species tested, two highly potent isolates were identified through ITS ribosomal gene sequencing: Aspergillus terreus AUMC 15447 and A. nidulans AUMC 15444. Results indicated that A. terreus AUMC 15447 and A. nidulans AUMC 15444 extracts effectively inhibited S. aureus (concentration range: 25–0.39 mg/mL), with the A. nidulans AUMC 15444 extract demonstrating significant suppression of Candida spp. (concentration range: 3.125–0.39 mg/mL). The A. terreus AUMC 15447 extract exhibited an IC50 of 0.47 mg/mL toward DPPH radical-scavenging activity. HPLC analysis of the fungal extracts, employing 18 standards, revealed varying degrees of detected phenolics in terms of their presence and quantities. Docking investigations highlighted rutin as a potent inhibitor, showing high affinity (−16.43 kcal/mol and −12.35 kcal/mol) for S. aureus tyrosyl-tRNA synthetase and C. albicans secreted aspartic protease 2, respectively. The findings suggest that fungal metabolites, particularly phenolics, hold significant promise for the development of safe medications to combat pathogenic infections.
Keywords: fungi; phenolics; anti-staphylococcus; anti-candidal; molecular docking fungi; phenolics; anti-staphylococcus; anti-candidal; molecular docking

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MDPI and ACS Style

Al Mousa, A.A.; Abouelela, M.E.; Al Ghamidi, N.S.; Abo-Dahab, Y.; Mohamed, H.; Abo-Dahab, N.F.; Hassane, A.M.A. Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis. Curr. Issues Mol. Biol. 2024, 46, 221-243. https://doi.org/10.3390/cimb46010016

AMA Style

Al Mousa AA, Abouelela ME, Al Ghamidi NS, Abo-Dahab Y, Mohamed H, Abo-Dahab NF, Hassane AMA. Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis. Current Issues in Molecular Biology. 2024; 46(1):221-243. https://doi.org/10.3390/cimb46010016

Chicago/Turabian Style

Al Mousa, Amal A., Mohamed E. Abouelela, Nadaa S. Al Ghamidi, Youssef Abo-Dahab, Hassan Mohamed, Nageh F. Abo-Dahab, and Abdallah M. A. Hassane. 2024. "Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis" Current Issues in Molecular Biology 46, no. 1: 221-243. https://doi.org/10.3390/cimb46010016

APA Style

Al Mousa, A. A., Abouelela, M. E., Al Ghamidi, N. S., Abo-Dahab, Y., Mohamed, H., Abo-Dahab, N. F., & Hassane, A. M. A. (2024). Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis. Current Issues in Molecular Biology, 46(1), 221-243. https://doi.org/10.3390/cimb46010016

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