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Article

Profiling of Antifungal Activities and In Silico Studies of Natural Polyphenols from Some Plants

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Institute of Biochemistry, University of Sindh, Jamshoro 76080, Pakistan
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Department of Biochemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan
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Department of Biological Sciences, National University of Medical Sciences, Rawalpindi 46000, Pakistan
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Botany and Microbiology Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
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Department of Pharmacy, Quaid-i-Azam University, Islamabad 45320, Pakistan
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Integrated Molecular Plant Physiology Research, Department of Biology, University of Antwerp, 2020 Antwerpen, Belgium
*
Authors to whom correspondence should be addressed.
Academic Editors: Ana Paula Duarte, Ângelo Luís and Eugenia Gallardo
Molecules 2021, 26(23), 7164; https://doi.org/10.3390/molecules26237164
Received: 27 October 2021 / Revised: 21 November 2021 / Accepted: 22 November 2021 / Published: 26 November 2021
(This article belongs to the Special Issue Natural Products: Therapeutic Properties and Beyond II)
A worldwide increase in the incidence of fungal infections, emergence of new fungal strains, and antifungal resistance to commercially available antibiotics indicate the need to investigate new treatment options for fungal diseases. Therefore, the interest in exploring the antifungal activity of medicinal plants has now been increased to discover phyto-therapeutics in replacement to conventional antifungal drugs. The study was conducted to explore and identify the mechanism of action of antifungal agents of edible plants, including Cinnamomum zeylanicum, Cinnamomum tamala, Amomum subulatum, Trigonella foenumgraecum, Mentha piperita, Coriandrum sativum, Lactuca sativa, and Brassica oleraceae var. italica. The antifungal potential was assessed via the disc diffusion method and, subsequently, the extracts were assessed for phytochemicals and total antioxidant activity. Potent polyphenols were detected using high-performance liquid chromatography (HPLC) and antifungal mechanism of action was evaluated in silico. Cinnamomum zeylanicum exhibited antifungal activity against all the tested strains while all plant extracts showed antifungal activity against Fusarium solani. Rutin, kaempferol, and quercetin were identified as common polyphenols. In silico studies showed that rutin displayed the greatest affinity with binding pocket of fungal 14-alpha demethylase and nucleoside diphosphokinase with the binding affinity (Kd, −9.4 and −8.9, respectively), as compared to terbinafine. Results indicated that Cinnamomum zeylanicum and Cinnamomum tamala exert their antifungal effect possibly due to kaempferol and rutin, respectively, or possibly by inhibition of nucleoside diphosphokinase (NDK) and 14-alpha demethylase (CYP51), while Amomum subulatum and Trigonella foenum graecum might exhibit antifungal potential due to quercetin. Overall, the study demonstrates that plant-derived products have a high potential to control fungal infections. View Full-Text
Keywords: antifungal; edible plants; molecular docking; antioxidant activities; polyphenols antifungal; edible plants; molecular docking; antioxidant activities; polyphenols
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MDPI and ACS Style

Khanzada, B.; Akhtar, N.; Okla, M.K.; Alamri, S.A.; Al-Hashimi, A.; Baig, M.W.; Rubnawaz, S.; AbdElgawad, H.; Hirad, A.H.; Haq, I.-U.; Mirza, B. Profiling of Antifungal Activities and In Silico Studies of Natural Polyphenols from Some Plants. Molecules 2021, 26, 7164. https://doi.org/10.3390/molecules26237164

AMA Style

Khanzada B, Akhtar N, Okla MK, Alamri SA, Al-Hashimi A, Baig MW, Rubnawaz S, AbdElgawad H, Hirad AH, Haq I-U, Mirza B. Profiling of Antifungal Activities and In Silico Studies of Natural Polyphenols from Some Plants. Molecules. 2021; 26(23):7164. https://doi.org/10.3390/molecules26237164

Chicago/Turabian Style

Khanzada, Beenish, Nosheen Akhtar, Mohammad K. Okla, Saud A. Alamri, Abdulrahman Al-Hashimi, Muhammad W. Baig, Samina Rubnawaz, Hamada AbdElgawad, Abdurahman H. Hirad, Ihsan-Ul Haq, and Bushra Mirza. 2021. "Profiling of Antifungal Activities and In Silico Studies of Natural Polyphenols from Some Plants" Molecules 26, no. 23: 7164. https://doi.org/10.3390/molecules26237164

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