Antifungal Potential Research Articles

In Silico Study of the Structural Disruption of 14α-demethylase Induced by the Binding of Terminalia chebula Constituents

Background: Since ancient times, medicinal plants have been in use in medicine and dai-ly life. Objective: To develop new antifungal compounds with low toxicity and high efficacy followed by high bioavailability, the constituents of Terminalia chebula were studied. Methods: The chemical constituents of the plant were evaluated for antifungal potential via Moler-go Virtual Docker against the enzyme 14α-demethylase. Results: The study depicted that tannins exhibited very good potential against the enzyme and could be used further for lead development. Conclusion: The study revealed that the plant possessed various constituents with potential antifun-gal properties and low toxicity.

Antifungal Activity of Pseudomonas chlororaphis 1S4

The potential of Pseudomonas chlororaphis 1S4 strain as an antifungal biocontrol agent against three species of the economically important Fusarium pathogens: Fusarium proliferatum C1, Fusarium oxysporum F6, and Fusarium solani F7 is studied. P. chlororaphis 1S4 24 and 48 h fresh and sterilized broth cultures were used to assess their antifungal properties for 168 hours. P. chlororaphis 1S4 imposed fungal growth inhibition of 64-85% against all fungal species, best presented at a relatively early stage of the fungi development (72 h) and sustained throughout the whole cultivation period. The sterilized broth bacterial cultures maintained about 60% - 100% of the fresh culture potential to retard the fungal growth. P. chlor¬oraphis 1S4 ability to produce exocellular phenazine-1-carboxylic acid and siderophores was determined. Their antifungal effect was checked after a high-temperature treatment. The potent antifungal activity of the P. chlororaphis 1S4 strain is speculated to be related to the biosynthesis of these biologically active substances that serve as effective bio-fungicides. Thus, the P. chlororaphis 1S4 antifungal potential could be utilized in agricultural initiatives focused on biocontrol.

Synthesis of exocyclic enaminone-based thiohydantoins as potent antifungal agents

A highly efficient and stereoselective synthesis of (E)-5-(dimethylamino)methylene thiohydantoins is herein reported. It was carried out through a one-pot, two-step reaction between methyl N-arylglycinates, isothiocyanates, and DMFDMA under microwave irradiation. The thermal and catalyst-free reaction of the (dimethylamino)methylene thiohydantoins with anilines led to the stereoselective formation of (E)-(anilinomethylene) thiohydantoins. The antifungal activity of the products was evaluated with a series of five Candida spp., finding a potent effect, even against a fluconazole-resistant C. glabrata strain. The docking studies suggest that this inhibitory effect is due to the binding of the compounds to the active site of fungal HMGR.

Antibacterial, Antifungal, and Cytotoxic Effects of Endophytic Streptomyces Species Isolated from the Himalayan Regions of Nepal and Their Metabolite Study.

Background/Objectives: Recently, antimicrobial-resistant pathogens and cancers have emerged as serious global health problems, highlighting the immediate need for novel therapeutics. Consequently, we aimed to isolate and characterize endophytic Streptomyces strains from the rhizospheres of the Himalayan region of Nepal and identify specialized metabolites with antibacterial, antifungal, and cytotoxic potential. Methods: To isolate Streptomyces sp., we collected two soil samples and cultured them on an ISP4 medium after pretreatment. We isolated and identified the strains PY108 and PY109 using a combination of morphological observations and 16S rRNA gene sequencing. Results: The BLAST results showed that PY108 and PY109 resembled Streptomyces hundungensis PSB170 and Streptomyces sp. Ed-065 with 99.28% and 99.36% nucleotide similarity, respectively. Antibacterial assays of ethyl acetate (EA) extracts from both isolates PY108 and PY109 in a tryptic soy broth (TSB) medium were conducted against four pathogenic bacteria. They showed significant antibacterial potential against Staphylococcus aureus and Klebsiella pneumoniae. Similarly, these extracts exhibited moderate antifungal activities against Saccharomyces cerevisiae and Aspergillus niger. Cytotoxicity assays on cervical cancer cells (HeLa) and breast cancer cells (MCF-7) revealed significant potential for both extracts. LC-MS/MS profiling of the EA extracts identified 27 specialized metabolites, including diketopiperazine derivatives, aureolic acid derivatives such as chromomycin A, and lipopeptide derivatives. In comparison, GC-MS analysis detected 34 metabolites, including actinomycin D and γ-sitosterol. Furthermore, a global natural product social molecular networking (GNPS)-based molecular networking analysis dereplicated 24 metabolites in both extracts. Conclusions: These findings underscore the potential of endophytic Streptomyces sp. PY108 and PY109 to develop new therapeutics in the future.

Synthesis and Biological Evaluation of Novel Imidazolone - Thiabendazole-Based Metal Complexes.

Thiabendazole-based metal complexes are attracting interest due to their special antimicrobial activities. The current investigation describes the preparation of ligand L1 and its metal complexes [M (C26H17N5OS) Cl2] M = Co, Ni, Cu and Zn. Mass, 1 H-NMR, IR, and UV were used to characterize these compounds. L1 exhibited the highest potency towards many bacteria. It shows the maximum zone of inhibition as compared to any other ligand. Thus, the antibacterial potency of L1 is better as compared to standard drugs. Imidazolone-TBZ ligands L1 are also more susceptible to some bacteria and also show antifungal potency against Pseudomonas aeruginosa. The significance of such work triggered the possibility that these ligands L1 and metal complexes can be efficacious drugs against bacterial and fungal species that could be advantageous in designing powerful antibacterial and antifungal compounds for medicinal use. All these synthesized compounds are in addition to the library of heterocyclic compounds.

Elucidating the potential of bimetallic mixed metal oxide (FeO/NiO) in fusion with pristine and N- and S-doped graphene oxide for biomedical applications

Antimicrobial resistance is attributed to acquiring new mechanisms by microbes to combat antimicrobial agents, highlighting the necessity to discover new antimicrobial agents to protect human health. Graphene and its derivatives have shown antimicrobial potential due to their physical and chemical distinctive features. Potent antibacterial properties were observed by decorating the surface of graphene and its derivatives with inorganic nanoparticles, such as metal and metal oxide. In an attempt to reliably overcome antimicrobial resistance, the multifunctional nanocomposites, including FeO/NiO, FeO/NiO/GO, FeO/NiO/N-GO, and FeO/NiO/S-GO, were synthesized using a wet chemical method. Accordingly, the structural analysis was performed using X-ray diffraction (XRD), infrared spectroscopy (IR), energy dispersive X-ray (EDX), ultraviolet-visible spectroscopy (UV–vis), and scanning electron microscopy (SEM). For antibacterial potential, the synthesized nanocomposites were tested against non-resistant and resistant strains of bacteria. Notably, moderate antibacterial potential was found for FeO/NiO/N-GO nanocomposite with a MIC value of 12.5 μg/mL, compared to the MIC of pure Ciprofloxacin, a positive control, with a value of 1.25 μg/mL. Toward antifungal potential, the synthesized nanocomposites were assessed against various spores of fungal strains. In this regard, the synthesized nanocomposites were demonstrated as potent antifungal agents. Among the synthesized nanocomposites, FeO/NiO and FeO/NiO/S-GO exhibited the highest ZOI against Aspergillus flavus. Additionally, the activity of these nanocomposites was evaluated by means of total reducing power (TRP), total antioxidant capacity (TAC), and free radical scavenging. Further, the antioxidant, brine shrimp lethality, and hemolytic potential of the synthesized nanocomposites were evaluated to compare their effectiveness. According to brine shrimp lethality, all synthesized nanocomposites were sufficiently active, with a calculated median lethal concentration (LC50) showing ≥ 50 % mortality. The obtained results provide a promising base for the incorporation of nanocomposites in pharmaceutical and biomedical products.

Seasonal Study Chemical Profiles and Bioactivities of Hedychium coronarium J. Koenig Essential Oils: Nematicidal, Insecticidal, Phytotoxic, Antifungal Potentials, and Molecular Docking Insights.

Hedychium coronarium plant has attracted considerable attention from researchers due to its diverse phytochemical composition and potential therapeutic applications. The objective of this study was to evaluate the phytochemical profile and biological attributes of H. coronarium essential oils collected during different seasons in the Kumaun region of Uttarakhand. The essential oils were extracted from the rhizomes using hydrodistillation with a Clevenger-type apparatus yielding between 0.07% to 0.38% (w/w). The major compounds identified by GC-MS analysis exhibited seasonal variations and included 1,8-cineole (26.6-38.5%), coronarin E (11.9-18.8%), α-pinene (5.00-14.9%), α-terpineol (4.2-9.3%), (E)-β-caryophyllene (1.2-9.7%), and linalool (0.4-2.9%). To illustrate the variations in oil composition, visualization techniques such as heat map and PCA were employed. The essential oils demonstrated potential biological activity in all tests conducted. The molecular modeling study indicated that the potential mechanism may be associated with acetylcholinesterase. Consequently, this study contributes to the development of novel natural pesticides.

Piperazine reveals as a cell wall targeting antifungal agent against Candida albicans

Candida albicans, a dimorphic opportunistic fungal pathogen, poses a significant threat to immunocompromised patients, with infections becoming increasingly severe due to the emergence of multi-drug resistance and the lack of effective treatments. This study investigates the antifungal properties of piperazine, a heterocyclic organic compound, and its mechanism of action against Candida species. In silico molecular docking, analysis was conducted to evaluate the interaction between piperazine and cell wall synthesis proteins, complemented by pharmacokinetic ADMET studies to assess its potential as a drug candidate. The minimum inhibitory concentration for eight Candida species ranged from 256 to 512 μg/mL. Morphological changes in C. albicans treated with piperazine were observed using scanning electron microscopy, revealing significant cell wall damage. Our findings suggest that piperazine could serve as a potential cell wall-targeting antifungal agent, potentially expanding the current arsenal of antifungal therapies.

EFFICACY OF SHRIMP SHELL SYNTHESIZED CHITOSAN AGAINSTPOST-HARVEST SPOILAGE FUNGI OF Sesamum indicum

Contamination of Agricultural commodities by moulds poses significant challenges due to conducive climatic conditions. Mycotoxins produced by moulds like Aspergillus, Penicillium, and Fusarium present health risks and economic losses. Traditional control measures such as the use of fungicides have drawbacks, necessitating the exploration of eco-friendly alternatives. One such alternatives is the use of Chitosan, a biopolymer derived from chitin found in crustacean exoskeletons. This study evaluated the efficacy of chitosan synthesized from shrimp shells in inhibiting the growth of Aspergillus niger, a common food borne mould of oil seeds such as Sesame. Synthesized Chitosan was characterized using FTIR spectroscopy, UV-visible spectroscopy, and the degree of deacetylation was determined. FTIR analysis showed characteristic absorption peaks ranging from 3911.77 cm-1 to 794.70 cm-1, with higher wave numbers corresponding to stretching vibrations of the C-H, O-H, and N-H bonds functional groups. UV-visible spectroscopy displayed an absorbance peak at 232 nm with an absorbance value of 2.15. The degree of deacetylation of synthesized chitosan was determined to be 98.99%. In vitro experiments showed a concentration-dependent inhibition of A. niger growth by shrimp shell synthesized chitosan. The highest level of inhibition was seen at day 3 with 0.75mg/ml (50%) and 1.0mg/ml (52.1%), meaning the higher the concentration of shrimp shell synthesized chitosan the higher the inhibition. Results suggest chitosan as a potential anti-fungal agent for food preservation and agricultural protection against mould contamination and mitigate post harvest losses and ensure food safety.

Antifungal, Antioxidant, and Irritative Potential of Citronella Oil (Cymbopogon nardus) Associated with Phenethyl Ester of Caffeic Acid (CAPE)

The present study aimed to analyze the antifungal, antioxidant, and irritant potential of citronella oil, both isolated and combined with caffeic acid phenethyl ester (CAPE), for topical oral candidiasis. The antioxidant potential was evaluated using two methods, the DPPH test and the reducing power test (FRAP), while the irritant potential of the solutions was assessed through the hen’s egg chorioallantoic membrane test (HET-CAM). The DPPH test (IC50) values for the CITRO III + CAPE III combination were 32 ± 9 mg/mL, and for isolated CAPE, 13 ± 3 mg/mL. The results from the FRAP method revealed a low iron-reducing power for the combination of 1.25 mg/mL of citronella and 0.0775 mg/mL of CAPE (CITRO III + CAPE III), showing no significant difference compared to the isolated solution of 0.15 mg/mL of CAPE. The antibacterial activity of CAPE and isolated citronella in vitro against microorganisms was evaluated using two methods: microdilution and biofilm assay. The results showed that the MIC and MFC values were 0.5 mg/mL for citronella at both tested times (24 h and 48 h). For CAPE, the MFC values were 0.031 mg/mL. For the biofilm assay, the isolated compounds and combinations at 1 min and 6 h showed significantly different results from the controls (p < 0.05). Furthermore, the HET-CAM results demonstrated the absence of irritability. Based on these premises, the antifungal and antioxidant actions, and absence of irritability were proven. Moreover, this work presents a natural antifungal of interest to the pharmaceutical industry.

Design, Synthesis, and Antimicrobial Evaluation of Novel Schiff Bases Derived from Thymol

Schiff bases, a significant class of organic compounds, are synthesized through the reaction of a primary amine with an aldehyde or ketone under specific conditions. In this study, we report the synthesis of novel Schiff bases derived from thymol (2-Isopropyl-5-methylphenol). The synthesis began with the esterification of thymol to produce (2-Isopropyl-5-methylphenoxy)-acetic acid ethyl ester (1), followed by hydrazination to yield (2-Isopropyl-5-methylphenoxy)-acetic acid hydrazide (2). The hydrazide (2) was then treated with various aromatic aldehydes to synthesize a series of Schiff bases (3A-J). The chemical structures of these compounds were elucidated using infrared (IR) spectroscopy, proton nuclear magnetic resonance (1H-NMR), and mass spectrometry. The synthesized Schiff bases were evaluated for their antibacterial and antifungal activities using standard screening methods. The results indicated that all synthesized compounds exhibited varying degrees of antimicrobial activity. Among the series, compound 3C showed the highest antibacterial and antifungal potency, suggesting it could be a promising candidate for further development. This study highlights the potential of Schiff bases as bioactive compounds with broad-spectrum antimicrobial properties. The structure-activity relationship (SAR) suggests that the presence of specific substituents on the aromatic aldehyde moiety could enhance biological activity. Further investigation into the mechanisms of action and optimization of these Schiff bases could contribute to the development of novel antimicrobial agents

Endophytic Fungi: A Treasure Trove of Antifungal Metabolites.

Emerging and reemerging fungal infections are very common in nosocomial and non-nosocomial settings in people having poor immunogenic profiles either due to hematopoietic stem cell transplants or are using immunomodulators to treat chronic inflammatory disease or autoimmune disorders, undergoing cancer therapy or suffering from an immune weakening disease like HIV. The refractory behavior of opportunistic fungi has necessitated the discovery of unconventional antifungals. The emergence of black fungus infection during COVID-19 also triggered the antifungal discovery program. Natural products are one of the alternative sources of antifungals. Endophytic fungi reside and co-evolve within their host plants and, therefore, offer a unique bioresource of novel chemical scaffolds with an array of bioactivities. Hence, immense possibilities exist that these unique chemical scaffolds expressed by the endophytic fungi may play a crucial role in overcoming the burgeoning antimicrobial resistance. These chemical scaffolds so expressed by these endophytic fungi comprise an array of chemical classes beginning from cyclic peptides, sesquiterpenoids, phenols, anthraquinones, coumarins, etc. In this study, endophytic fungi reported in the last six years (2018-2023) have been explored to document the antifungal entities they produce. Approximately 244 antifungal metabolites have been documented in this period by different groups of fungi existing as endophytes. Various aspects of these antifungal metabolites, such as antifungal potential and their chemical structures, have been presented. Yet another unique aspect of this review is the exploration of volatile antifungal compounds produced by these endophytic fungi. Further strategies like epigenetic modifications by chemical as well as biological methods and OSMAC to induce the silent gene clusters have also been presented to generate unprecedented bioactive compounds from these endophytic fungi.

Comparative antioxidant and antimicrobial activities of Nigella sativa flower, leaf, stem, and seed derived silver nanoparticles

This study was aimed to synthesize biogenic silver nanoparticles (AgNPs) using Nigella sativa (N. sativa) plant extracts as bio-reductant. The fabricated nanoparticles were characterized by UV–visible, FTIR, and XRD. The extracts and AgNPs were then evaluated for their antioxidant and antimicrobial potentials using DPPH (2, 2-diphenyl-1-picrylhydrazyl) assay and agar well diffusion assay correspondingly. The color change from pale yellow to tan brownish confirmed the fabrication of nanoparticles. The broad peak from 420 to 430 in the UV–Visible spectrum also confirmed AgNPs formation. In XRD spectrum the peaks indices (111), (200), (220), and (311) belonging to 2θ values of 38.101, 44.370, 64.179, and 77.549 indicated the presence of silver crystals (JCPDS file no. 00-001-1167). The presence of organic functional groups in the FTIR spectra confirmed the involvement of plant phytochemicals in fabrication of nanoparticles. Comparatively strong antioxidant potential was recorded for silver nanoparticles in comparison to parental extract. The lowest IC50 recorded was in the case flower based AgNPs was 70 µl where it corresponding crude extract resulted in IC50 of 910 µl. Highest IC50 was recorded for stem extract based NPs (100 µl). The antifungal potential of AgNPs from flower was high (24 mm) and that of the stem extract-based NPs was low (19 mm) whereas the antibacterial potential of the stem and seed extract-based extract was comparable however, the leaf and flower-based extract-based NPs were also, substantial. It was concluded from the results that all the whole Nigella sativa plant contained the reductant phytochemicals which be effectively used to fabricate NPs of the desired sizes. The fabricated NPs also exhibited good antioxidant and antimicrobial properties and can be considered as alternative drugs subjected to further verifications of the results in animal model.

Appraisal of antifungal potential of chemicals and plant extracts against brown leaf spot of soybean caused by Septoria glycine

Soybean is a legume crop originating in China. Its nutritional value, characterized by high-quality protein and unsaturated fats, makes it an excellent cholesterol-free diet option. Brown leaf spot of soybean, caused by Septoria glycine, is one of the most devastating diseases, resulting in significant yield losses. This study aimed to evaluate the effectiveness of new chemical fungicides (Topsin-M, Recado, Evito, Polyram-DF, and Curzate-M) at concentrations of 50, 100, and 150 ppm, and phyto-extracts (neem, clove, eucalyptus, ficus, and datura) at concentrations of 3, 5, and 7% against S. glycine under in vitro conditions. The most effective treatments from the in vitro tests were further investigated under greenhouse conditions using a completely randomized design with three replications per treatment. The results indicated that, among the fungicides, Topsin-M showed the lowest mycelial growth (3.5, 2.73, and 2.34 mm) at concentrations of 50, 100, and 150 ppm, respectively. Among the phyto-extracts, clove demonstrated the most effective results, with the least fungal growth (3.95 mm) at 7% concentration. Under greenhouse conditions, the best results were achieved with a combination of Topsin-M and clove, resulting in the lowest disease incidence (10.27%), followed by Topsin-M (17.65%) and clove (26.76%). This study suggests that new chemical fungicides and phyto-extracts can be effectively used as part of an integrated management strategy against brown leaf spot of soybean.

Antifungal potential of essential oils from different botanical sources against Penicillium digitatum: chemical composition and antifungal mechanisms of action by direct contact and volatile

Fungal deterioration is a recurring problem in citrus fruits, and the search for natural preservatives has been widely publicised. Therefore, the in vitro antifungal activity of clove, white thyme, tea tree, Eucalyptus citriodora, Eucalyptus staigeriana, green mandarin, sicilian lemon, sweet orange, and bergamot essential oils (EO’s) was evaluated against the mycelial growth of Penicillium digitatum isolated from contaminated citrus fruits, by direct contact and volatiles action. In addition, the chemical composition and volatile compounds of the EO’s were evaluated by gas chromatography. Clove, white thyme, and Eucalyptus citriodora EO’s inhibited 100% of the mycelial growth of P. digitatum by direct contact and volatile action at concentrations ≤ 2 µL/mL. On the other hand, EO’s from citrus sources could not inhibit 100% of mycelial growth by any mechanism of action. Thus, the clove, thyme, and Eucalyptus citriodora EO’s are promising for developing new ecologically correct products for controlling phytopathogens in citrus fruits.

Catalyst-free synthesis of novel α-trifluoromethylated tertiary alcohols bearing azaarenes as potential antifungal agents

Herein, α-trifluoromethylated tertiary alcohols bearing azaarenes were successfully synthesized via the reaction of 2-methyl azaarenes and CF3-substituted 1,3-diols with high yields under catalyst-free, mild conditions. The antifungal activities against Gaeumannomyces graminis var tritici, Rhizoctonia cerealis, Fusarium graminearum, Rhizoctonia solani, Fusarium moniliforme, Sclerotium rolfsii Sacc were investigated. The bioassay results indicated that the antifungal activity against Gaeumannomyces graminis var tritici was obviously better compared to other five fungi and compound 3dd displayed the highest activity, with an EC50 value of 27.73 μg/mL in vitro.

Prenylated Flavonoids Isolated from the Root of Sophora flavescens as Potent Antifungal Agents against Botrytis cinerea.

Sophora flavescens, a traditional Chinese herb, produces a wide range of secondary metabolites with a broad spectrum of biological activities. In this study, we isolated six isopentenyl flavonoids (1-6) from the roots of S. flavescens and evaluated their activities against phytopathogenic fungi. In vitro activities showed that kurarinone and sophoraflavanone G displayed broad spectrum and superior activities, among which sophoraflavanone G displayed excellent activity against tested fungi, with EC50 values ranging from 4.76 to 13.94 μg/mL. Notably, kurarinone was easily purified and showed potential activity against Rhizoctonia solani, Botrytis cinerea, and Fusarium graminearum with EC50 values of 16.12, 16.55, and 16.99 μg/mL, respectively. Consequently, we initially investigated the mechanism of kurarinone against B. cinerea. It was found that kurarinone disrupted cell wall components, impaired cell membrane integrity, increased cell membrane permeability, and affected cellular energy metabolism, thereby exerting its effect against B. cinerea. Therefore, kurarinone is expected to be a potential candidate for the development of plant fungicides.

Antifungal potential, mechanism of action, and toxicity of 1,4-naphthoquinone derivatives.

The rising prevalence of fungal infections and challenges such as adverse effects and resistance against existing antifungal agents have driven the exploration of new antifungal substances. We specifically investigated naphthoquinones, known for their broad biological activities and promising antifungal capabilities. It specifically examined the effects of a particular naphthoquinone on the cellular components of Candida albicans ATCC 60193. The study also assessed cytotoxicity in MRC-5 cells, Artemia salina, and the seeds of tomatoes and arugula. Among four tested naphthoquinones, 2,3-DBNQ (2,3-dibromonaphthalene-1,4-dione) was identified as highly effective, showing potent antifungal activity at concentrations between 1.56 and 6.25 μg mL-1. However, its cytotoxicity in MRC-5 cells (IC50 = 15.44 µM), complete mortality in A. salina at 50 μg mL-1, and significant seed germination inhibition suggest limitations for its clinical use. The findings indicate that primary antifungal mechanism of 2,3-DBNQ might involve disrupting fungal membrane permeability, which leads to increased nucleotide leakage. This insight underscores the need for further research to enhance the selectivity and safety of naphthoquinones for potential therapeutic applications.

Mining for antifungal agents to inhibit biofilm formation of Candida albicans: A study on green synthesis, antibiofilm, cytotoxicity, and in silico ADME analysis of 2-amino-4H-pyran-3-carbonitrile derivatives

Candida albicans (C. albicans) biofilm infections are quite difficult to manage due to their resistance against conventional antifungal drugs. To address this issue, there is a desperate need for new therapeutic drugs. In the present study, a green and efficient protocol has been developed for the synthesis of 2-amino-4H-pyran-3-carbonitrile scaffolds 4a-i, 6a-j, and 8a-g by Knoevenagel-Michael-cyclocondensation reaction between aldehydes, malononitrile, and diverse enolizable C-H activated acidic compounds using guanidinium carbonate as a catalyst either under grinding conditions or by stirring at room temperature. This protocol is operationally simple, rapid, inexpensive, has easy workup and column-free purification. A further investigation of the synthesized compounds was conducted to examine their antifungal potential and their ability to inhibit the growth and development of biofilm-forming yeasts like fungus C. albicans. According to our findings, 4b, 4d, 4e, 6e, 6f, 6g, 6i, 8c, 8d, and 8g were found to be active and potential inhibitors for biofilm infection causing C. albicans. The inhibition of biofilm by active compounds were observed using field emission scanning electron microscopy (FESEM). Biofilm inhibiting compounds were also tested for in vitro toxicity by using 3T3-L1 cell line, and 4b, 6e, 6f, 6g, 6i, 8c, and 8d were found to be biocompatible. Furthermore, the in silico ADME descriptors revealed drug-like properties with no violation of Lipinski's rule of five. Hence, the result suggested that synthesized derivatives could serve as a useful aid in the development of novel antifungal compounds for the treatment of fungal infections and virulence in C. albicans.

Carya Illinoinensis-mediated Green Synthesis and Antimicrobial Screening of Zirconium Oxide Nanoparticles: The Promising Antimicrobial Agent

Background: The synthesis of metal-based nanoparticles through conventional methods involves harsh conditions, high costs, and severe environmental threats. To overcome these issues, researchers are nowadays focusing on eco-friendly and low-cost methods for the synthesis of nanoparticles. Finally, several plant-mediated synthesis techniques have been developed, which have various advantages, such as low-cost, environmentally friendly, and easy application. The plant extract not only serves as a reducing agent but also plays a role as a stabilizing agent. The plantmediated synthesis provides new opportunities for cost-effective, environmentally-friendly nanoparticle synthesis with high dispersity and stability. Besides, bio-generated nanoparticles derived from plant extract have promising pharmacological applications, making them potential candidates for future medicines. Aims and Objectives: The current study aimed to synthesize zirconium oxide nanoparticles using Carya illinoinensis extract and examine their physicochemical properties. Additionally, the antimicrobial efficacy of these nanoparticles was evaluated against various pathogens, exploring their potential as potent antimicrobial agents. Method: The synthesized nanoparticles were analyzed and characterized by various techniques like UV-Vis spectroscopy, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Energy Dispersive X-ray spectroscopy (EDX). The UV-visible peak at 216 nm confirmed the formation of ZrO2 nanoparticles. The SEM images clearly showed that nanoparticles were spherical and relatively dispersed, with few agglomerations. The EDX spectra confirmed the existence of zirconium and oxygen as the basic constituents of the sample. TEM images demonstrated nanoparticles as spherical and uniformly dispersed but agglomerated with increasing precursor concentrations and decreasing nanoparticle dispersion. Fluconazole and gentamicin were used as standards in determining the antibacterial and antifungal activities of nanoparticles. Results: Considering the antifungal activity, a maximum zone of inhibition of 16 μg/ml was demonstrated in the case of 2 mM as compared to 4 mM and 6 mM concentrations. The Carya illinoinensismediated ZrO2 nanoparticles were screened against Gram-positive (S. aureus and P. aeruginosa) and Gram-negative (S. typhi and E. coli) bacterial strains. The fabricated nanoparticles exhibited promising action against all microorganisms. Conclusion: In the current study, zirconium oxide nanoparticles were synthesized by using Carya illinoinensis leaves extract as a reducing agent. The antifungal and antibacterial potential of the synthesized nanoparticles were evaluated. The green synthesis method used in this study is preferable to the others as it is more affordable, environmentally benign, and widely accessible.