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

Khanzada, Beenish; Akhtar, Nosheen; Okla, Mohammad K.; Alamri, Saud; Al-Hashimi, Abdulrahman; Baig, Muhammad Waleed; Rubnawaz, Samina; AbdElgawad, Hamada; Hirad, Abdurahman Hajinur; Haq, Ihsan‐ul; Mirza, Bushra

doi:10.3390/molecules26237164

Cited by 22 publications

(8 citation statements)

References 48 publications

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“…According to literature, Mentha piperita L. is a great source of polyphenols [ 99 ]. Khanzada et al [ 100 ] reported that peppermint contained significantly higher amounts of phenolic compounds compared to other plants. It contains phenolic acids including hydroxybenzoic acids (protocatechuic, vanillic) and hydroxycinnamic acids (chlorogeic acid derivatives, rosmarinic, caffeic, p-coumaric, sinapic, caftaric, fertaric, and coutaric acid) as well as flavonoids: flavonols (kaempferol, quercetin, isorhamnetin derivatives), flavones (luteolin derivatives), flavanones (naringenin derivatives, hesperidin) and flavan-3-ols (epicatechin).…”

Section: Resultsmentioning

confidence: 99%

Antioxidant and Anti–Aging Activity of Freeze–Dried Alcohol–Water Extracts from Common Nettle (Urtica dioica L.) and Peppermint (Mentha piperita L.) in Elastomer Vulcanizates

et al. 2022

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The research article aimed to examine the antioxidant nature of freeze–dried extracts from Urtica dioica L. and Mentha piperita L. and to present a deep characterization of their influence on the properties of natural rubber–based vulcanizates before and after simulated aging processes. Natural extracts were prepared in three solvent systems at selected volume ratios: water (100), methanol–water (50/50), ethanol–water (50/50), which were further lyophilized and used as additive to natural rubber mixtures. Freeze–dried materials were investigated by UV–VIS diffuse reflectance spectroscopy, Fourier Transform Infrared Spectroscopy (FTIR), thermal stability by thermogravimetric analysis (TGA). Antioxidant activity and total phenolic content (TPC) were also examined. Prepared samples were subjected to accelerated simulated degradation processes by using ultraviolet and thermo-oxidative aging. Vulcanizates resistance to degradation effects was determined by the study of cross-linking density (equilibrium swelling method), mechanical properties (tensile strength, elongation at break) and color change in comparison with the results of the reference samples. The research showed that analyzed extracts are characterized by a high content of polyphenols and antioxidant activity, thus have a protective influence on elastomer vulcanizates against damaging effects of aging processes, which consequently extends the lifetime of materials.

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Section: Resultsmentioning

confidence: 99%

Antioxidant and Anti–Aging Activity of Freeze–Dried Alcohol–Water Extracts from Common Nettle (Urtica dioica L.) and Peppermint (Mentha piperita L.) in Elastomer Vulcanizates

et al. 2022

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“…In our study, the compounds such as 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione-; 2,5-O Methylene-D-mannitol; Glycerol 1,2 diacetate; D-Glucitol, 1,4-anhydro; and 1,2,3-Propanetriol exhibited favorable characteristics like good corneal permeability, low molecular weight, and lipophilic qualities. According to Khanzada et al (2021) , there is a significant association between the antifungal phytochemicals of a plant and the target elements of fungal virulence. These authors emphasized the importance of identifying molecular targets and understanding their mode of antifungal activity, whether it involves competitive or allosteric inhibition, to develop innovative antifungal therapy strategies.…”

Section: Discussionmentioning

confidence: 99%

Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment

Yolin Angel,

Jeyakumar,

Jasmin Suriya

et al. 2024

Front. Microbiol.

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IntroductionFungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. Clitoria ternatea flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the antifungal and antibiofilm effects of Clitoria ternatea flower extracts on the FK clinical isolate Coniochaeta hoffmannii. Structural details and key compound identification were analysed through FTIR and GC-MS.MethodsThe minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of Clitoria ternatea flower extracts were determined using broth dilution and well plate techniques. Biofilm inhibitory activity was assessed through microscopic evaluation, while anti-irritant and cytotoxic properties were evaluated using CAE-EI and MTT assays. Through GC-MS and FT-IR analysis the compounds dissolved in the extract and their functional group were studied, and their toxicity screening and pharmacokinetic prediction were conducted in silico. Subsequently, compounds with high corneal permeability were further identified, and molecular docking and simulation studies at 150 ns were used to investigate their interactions with fungal virulence factors and human inflammatory proteins.Results and DiscussionAt a concentration of 250 µg/mL, the Clitoria ternatea flower extract displayed effective biofilm inhibition. MIC and MFC values were determined as 500 and 1000 µg/mL, respectively. CAE-EI and MTT assays indicated no significant irritant and cytotoxic effects up to a concentration of 3 mg/mL. Compounds like 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione showed high corneal permeability with strong and stable interactions with fungal virulence cellobiose dehydrogenase, endo β 1,4 xylanase, and glucanase, as well as corneal inflammation-associated human TNF-α and Interleukin IL-1b protein targets. The findings indicate that extracts from C. ternatea flowers could be formulated for an effective and safe alternative for developing new topical FK therapeutics.

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“…It was proved that kaempferol and quercetin exhibit antifungal activity against C. parapsilosis and C. metapsilosis cultures following several pathways, notably the dysregulation of nucleic acid synthesis and the inhibition of cellular adhesion, affecting the development of the biofilms [ 152 ]. Molecular docking studies showed that quercetin had an increased affinity to bind 14α-demethylase and nucleoside phosphokinase enzymes, acting on a similar mechanism of azoles [ 153 ]. To complete the quercetin profile, Lotfi, M. et al studied its molecular effects after inclusion into a nanoemulsion vehicle.…”

Section: Biomaterials and Nanotechnological Approachesmentioning

confidence: 99%

Molecular Mapping of Antifungal Mechanisms Accessing Biomaterials and New Agents to Target Oral Candidiasis

Anuța

Talianu

Dinu-Pîrvu

et al. 2022

IJMS

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Oral candidiasis has a high rate of development, especially in immunocompromised patients. Immunosuppressive and cytotoxic therapies in hospitalized HIV and cancer patients are known to induce the poor management of adverse reactions, where local and systemic candidiasis become highly resistant to conventional antifungal therapy. The development of oral candidiasis is triggered by several mechanisms that determine oral epithelium imbalances, resulting in poor local defense and a delayed immune system response. As a result, pathogenic fungi colonies disseminate and form resistant biofilms, promoting serious challenges in initiating a proper therapeutic protocol. Hence, this study of the literature aimed to discuss possibilities and new trends through antifungal therapy for buccal drug administration. A large number of studies explored the antifungal activity of new agents or synergic components that may enhance the effect of classic drugs. It was of significant interest to find connections between smart biomaterials and their activity, to find molecular responses and mechanisms that can conquer the multidrug resistance of fungi strains, and to transpose them into a molecular map. Overall, attention is focused on the nanocolloids domain, nanoparticles, nanocomposite synthesis, and the design of polymeric platforms to satisfy sustained antifungal activity and high biocompatibility with the oral mucosa.

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

Cited by 22 publications

References 48 publications

Antioxidant and Anti–Aging Activity of Freeze–Dried Alcohol–Water Extracts from Common Nettle (Urtica dioica L.) and Peppermint (Mentha piperita L.) in Elastomer Vulcanizates

Antioxidant and Anti–Aging Activity of Freeze–Dried Alcohol–Water Extracts from Common Nettle (Urtica dioica L.) and Peppermint (Mentha piperita L.) in Elastomer Vulcanizates

Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment

Molecular Mapping of Antifungal Mechanisms Accessing Biomaterials and New Agents to Target Oral Candidiasis

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