Strong Antifungal Activity Research Articles

Antifungal active ingredient from the twigs and leaves of Clausena lansium Lour. Skeels (Rutaceae).

Two novel amides, named clauphenamides A and B, and twelve other known compounds were isolated from the twigs and leaves of Clausena lansium Lour. Skeels (Rutaceae). Their structures were elucidated on the basis of extensive spectroscopic analysis and comparison with data reported in the literature. Clauphenamide A (1) featured in the unit of N-2-(4,8-dimethoxyfuro [2,3-b]quinolin-7-yl)vinyl, and clauphenamide B (2) was a unprecedented N-phenethyl cinnamide dimer. Other known compounds belong to pyrrolidone amides (3 and 4), furacoumarins (7-10), simple coumarins (11-14), lignan (5) and sesquiterpene (6). Compounds 5, 6, 10 and 12 were separated from the genus (Clausena) for the first time, while 13 was isolated in the species (C. lansium) for the first time. The antifungal activities of the isolated compounds were assayed. As a result, at the concentration of 100μg/ml, compared with the control (chlorothalonil, inhibition rate of 83.67%), compounds 1 and 2 were found to exhibit moderate antifungal activity against B. dothidea with inhibition rates of 68.39% and 52.05%, respectively. Compounds 11-14 also exhibited moderate activity against B. dothidea and F. oxysporum, with inhibition rates greater than 40%. In addition, compared with the control (chlorothalonil, inhibition rate of 69.02%), compounds 11-14 showed strong antifungal activity to P. oryzae, with inhibition rates greater than 55%. Among them, compound 14 has the strongest antifungal activity against P. oryzae, and the inhibition rate (65.44%) is close to that of the control chlorothalonil. Additionally, the structure-activity relationships of the separated compounds are also discussed preliminarily in this paper.

Antimicrobial Acylphloroglucinol Meroterpenoids and Acylphloroglucinols from Dryopteris crassirhizoma.

Ten novel meroterpenoids, dryoptins/11″-epi-dryoptins A~E (1: ~10: ) with an unprecedented skeleton consisting of dimeric or trimeric acylphloroglucinols and dehydrotheonelline, two undescribed acylphloroglucinol-nerolidol meroterpenoids (11: ~12: ), and ten known acylphloroglucinol derivatives (13: ~22: ), were isolated from D. crassirhizoma. The novel structures including absolute configurations were established by comprehensive spectroscopic analyses and quantum chemical electronic circular dichroism (ECD) calculations. A biosynthetic pathway of 1: ~10: was assumed. The trimeric acylphloroglucinol meroterpenoids 7: /8: showed significant antifungal activity against standard Candida albicans with a MIC50 value of 1.61 µg/mL [fluconazole (FLC): 3.41 µg/mL], and when combined with FLC, the principal components 20: and 21: exhibited strong antifungal activities against FLC-resistant C. albicans with MIC50 values of 8.39 and 7.16 µg/mL (FLC: > 100 µg/mL), respectively. Moreover, compounds 2, 5: /6, 18, 19: , and 21: exhibited inhibitory effects against several pathogenic fungi and bacteria, with MIC50 values of 6.25 ~ 50 µg/mL.

Cassia alata: phytopharmacological, traditional, and medicinal considerations

The traditional medicine, Cassia alata, also known as Ketepeng Cina in Indonesia and Gelenggang in Malaysia, has been used to cure a variety of illnesses particularly skin conditions. Additionally, it has been suggested that C. alata may have antifungal, anticancer, anti-inflammatory, and antioxidant properties. Alatinon, alanonal, flavones, flavonols, and flavonoid glycosides, as well as -sitosterol-D-glucoside, are among the isolated metabolite substances from C. alata. Mostly from the leaves, chemicals have been isolated. The secondary metabolites from other plant components such as the seed, flower, and bark, which are also said to have strong antibacterial and antifungal activity, need to be further identified. Due to its biological activity and secondary metabolites, this plant has been demonstrated to have pharmacological activities against selected diseases.

Cymbopogom Citratus Essential Oils: A Promising Source of Antifungals Against Panax Notoginseng-Associated Pathogenic Fungi.

Due to the great threat of chemical pesticides to the ecosystem environment, it is a long-term goal to find environmentally friendly green pesticides. Essential oils (EOs) are considered weapons in plant chemical defense and are important sources of green pesticides. Therefore, the antifungal effects and action mechanisms of Cymbopogom citratus (C. citratus) EOs against seven kinds of Panax notoginseng (P. notoginseng) pathogenic fungi were investigated. Oxford Cup results showed that C. citratus EOs had an excellent detraction effects against seven fungi of P. notoginseng. Gas chromatography-mass spectrometry (GC-MS) was used to construct the chemical profiles of C. citratus EOs, disclosed that the main categories are terpenes and oxygenated terpenes. In addition, compared with the hymexazol, the minimum inhibitory concentration (MIC) showed that EOs and their main components had strong antifungal activities. Besides, EOs had a synergistic effect with hymexazol (a chemical pesticide). The antifungal mechanism of C. citratus EOs was studied by using Fusarium oxysporum (F. oxysporum) as the dominant pathogen. C. citratus EOs may affect the metabolism of fungi and induce mycotoxins to destroy the cell wall to achieve antifungal effects. Finally, EOs were found to significantly retard P. notoginseng infection by F. oxysporum. According to our research, C. citratus EOs are potential green antifungal agent that can be used in the cultivation of P. notoginseng.

Antifungal activity of essential oils against itraconazole-resistant pathogenic Candida isolated from vulvovaginal candidiasis.

Fungal infection by species of pathogenic Candida with antifungal resistance is currently a serious problem. Treatment with new medications is becoming more challenging to manage this type of infection. The present study aimed to investigate the antifungal effect of essential oils (EOs) against itraconazole-resistant species of pathogenic Candida. Seven essential oils were tested on 15 clinical isolates of itraconazole-resistant Candida from patients with vulvovaginal candidiasis. The antifungal action of selected EOs was evaluated using the disc diffusion method with the determination of the minimum inhibitory concentration (MIC) of effective Eos. Radish EO was the most effective type against all Candida isolates with MICs between 3.125% and 6.25% (v/v) .It also had a stronger effect than itraconazole. Six other EOs showed antifungal effects at varying concentrations and were dependent upon the type of isolate. Low concentrations of these six EOs were more effective against many isolates than their high concentrations. Moreover, camphor and linseed EOs were less effective on isolates. Radish EO has a strong antifungal activity against itraconazole-resistance species of Candida, even more than itraconazole. The antifungal action of some EOs can be increased through the use of low concentrations.

Antifungal Activity and Possible Mechanism of Bacillus amyloliquefaciens FX2 Against the Postharvest Apple Ring Rot Pathogen.

Botryosphaeria dothidea-induced apple ring rot is one of the most serious postharvest diseases in apple production. In our preliminary work, we isolated a bacterial strain (FX2) from an infested apple orchard. Here, we confirmed the strong antifungal activity of FX2 on B. dothidea. Through phylogenetic analysis and morphological observations, we identified FX2 as a Bacillus amyloliquefaciens strain. We also found that 10% cell-free supernatant (CFS) of FX2 significantly affected mycelial growth and morphology and almost completely inhibited spore germination and germ tube elongation in B. dothidea. Furthermore, 10% CFS damaged the cell ultrastructure, resulting in a remarkable increase in cellular leakage in B. dothidea mycelia. Thus, CFS has the potential to effectively reduce in vivo B. dothidea infection, reduced lesion diameters to 64.7% compared with the control group, and reduced disease incidence by 15%. Finally, ultrafiltration, desalting chromatography, and anion exchange chromatography showed that the antifungal constituents in CFS are composed mainly of antifungal proteins. We further characterized these potential antifungal proteins via liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. Herein, we provide novel insights into the antifungal mechanisms of B. amyloliquefaciens FX2, and we highlight its potential as a novel biocontrol agent for controlling postharvest apple ring rot.

Chemical Synthesis of Cytosine β-D-Riboside Esters for Pathogenicity, Anticancer and Computational Studies

The growing importance of nucleoside derivatives as unique potential antimicrobial and therapeutic agents has drawn attention to the synthesis of thymidine derivatives. In the present study, cytidine (i.e., cytosine β-D-riboside) was treated with various acyl halides to produce 5ʹ-O-acyl cytidine derivatives by direct acylation method with an excellent yield. To obtain newer derivatives for antimicrobial assessment studies, the 5ʹ-O-cytidine derivatives were further modified into three series of 2′,3′-di-O-acyl cytidine derivatives (schemes 1 and 2) containing a wide variety of functionalities in a single molecular framework. The chemical structures of the newly synthesized derivatives were elucidated by analyzing their physicochemical, elemental, and spectroscopic data. The antimicrobial tests demonstrated that most of the derivatives exhibited significant antibacterial and antifungal activities in vitro. The derivatives 7, 10, and 11 were the most potent derivatives against Pseudomonas aeruginosa, Salmonella abony, and Staphylococcus strains, with the minimum inhibitory concentration ranging from 0.16 ± 0.01 to 1.25 ± 0.03 mg/mL and minimum bactericidal concentration ranging from 0.32 ± 0.01 to 2.5 ± 0.06 mg/mL. The strongest inhibitory activity was observed against Gram-negative bacteria. Some of the derivatives had a strong antifungal activity. The structure–activity relationship (SAR) and X-ray powder diffraction of these acylated products were also studied. In addition, derivative 6 exhibited good anticancer activity against EAC cells. Quantum chemical studies were performed employing density functional theory with B3LYP/3-21G level. To support this observation, molecular docking studies have been performed against HIV-1 reverse transcriptase (RT) (PDB: 3V4I). Most of the molecules studied out here could bind near the crucial catalytic binding site, Tyr181, Ile94, Ile382, Lys374, Val381, Val90, and Tyr34 of the HIV-1 reverse transcriptase (RT), and the molecules were surrounded by other active site residues like Gln332, Trp406, Asn265, Gly93, His96, Pro95, and Thr165. The absorption, distribution, metabolism, excretion, and toxicity properties predicted the improved pharmacokinetic properties of all derivatives. J. of Sci. and Tech. Res. 3(1): 23-40, 2021

Identification and utilization of a new Bacillus amyloliquefaciens XY-1 against Fusarium head blight.

Fusarium head blight (FHB) is a global wheat grain disease caused by Fusarium graminearum. Biological control of FHB is considered to be an alternative disease management strategy that is environmentally benign, durable, and compatible with other control measures. In this study, to screen antagonistic bacteria with the potential to against FHB, 45 strains were isolated from different tissues of wheat. Among them, seven strains appeared to effectively inhibit F. graminearum growth, the antagonistic bacterium named XY-1 showed a highly antagonistic effect against FHB using dual culture assays. The strain XY-1 was identified as Bacillus amyloliquefaciens by 16S rDNA sequence. Antibiotic tolerance of antagonistic bacteria showed that XY-1 had antagonistic activity against Colletotrichum gloeosporioides, Rhizoctonia solani, Sclerotium rolfsii, and Alternaria alternata. Nutrition tests showed that the most suitable carbon and nitrogen sources were glucose and beef extract, respectively. The optimum growth temperature and pH value were 28 ℃ and 7.4. Antibiotics tolerance cultivation showed that XY-1 had strong resistance to Chloramphenicol and Ampicillin. Wheat spikes inoculation antagonism tests showed that strain XY-1 displayed strong antifungal activity against F. graminearum. Our study laid a theoretical foundation for the application of strain XY-1 as a biological agent in the field to control FHB.

Metabolite profiling, antifungal, biofilm formation prevention and disruption of mature biofilm activities of Erythrina senegalensis stem bark extract against Candida albicans and Candida glabrata.

The antifungal activity of the 70% ethanol stem bark extract of Erythrina senegalensis (ESB) against different strains and drug resistant clinical isolates of Candida albicans and Candida glabrata were evaluated in the study. The effect of ESB on biofilms as well as its activity in combination with fluconazole, nystatin or caspofungin against the Candida strains were also evaluated. We then evaluated the antifungal activity of a microemulsion formulation of ESB against planktonic and biofilms of the Candida species. UPLC-QTOF-MS2 analysis was then undertaken to identify the phytoconstituents of the extract and UPLC fingerprints developed for the routine authentication as part of quality control measures. ESB exerted strong antifungal activities against C. albicans ATCC 10231 and SC5314 strains, and C. glabrata ATCC 2001 strain with minimum inhibitory concentration (MIC) values from 3.91 to 31.25 μg/mL and minimum fungicidal concentrations (MFCs) that ranged from 62.5 to 250 μg/mL. It also exhibited potent antifungal activities (MIC = 4-64 μg/mL) against a collection of C. albicans and C. glabrata clinical isolates that were resistant to either nystatin or azole antifungals. The formulated ESB demonstrated higher antifungal potency against the C. albicans and C. glabrata strains with MIC values of 3.91-31.25 μg/mL which was the same as the MFC values. The extract and its microemulsion formulation were active against biofilms of the strains of the Candida species inhibiting their biofilm formations (SMIC50 = 16-64 μg/mL) and their preformed biofilms (SMIC50 = 128 ->512 μg/mL). ESB also exhibited synergistic antifungal action with fluconazole and nystatin against C. albicans ATCC 10231 and C. glabrata ATCC 2001 strains in the checkerboard assay. Chemical characterization of the extract revealed the presence of phenolic compounds such as flavonoids and their prenylated derivatives, anthracene glycosides and alkaloids. UPLC Fingerprints of the extract was also developed and validated for routine identification and authentication of the stem bark of E. senegalensis. The study findings have demonstrated that the stem bark of E. senegalensis is as a potential source of bioactive compounds that could be developed as novel antifungal agents.

Antifungal activities of metconazole against the emerging wheat pathogen Fusarium pseudograminearum

Fusarium crown rot of wheat is a serious fungal disease that occurs worldwide. The disease has been emerging in the major wheat-growing areas in China since 2010. Fusarium pseudogramineaum is the predominant causative pathogen of crown rot of wheat in China. The 14α-demethylation inhibitor (DMI) fungicide metconazole has been shown to be effective against Fusarium spp., but little is known about its specific activity against F. pseudogramineaum. Metconazole exhibited strong antifungal activities against all thirty-nine F. pseudogramineaum strains collected from the major wheat-growing areas in China. Metconazole inhibited mycelial growth and conidial germ tube elongation of F. pseudograminearum. Metconazole treatment significantly reduced the production of major toxins and the expression levels of toxin biosynthesis genes. Genome-wide transcriptional profiling of F. pseudograminearum in response to metconazole indicated that the expression of genes involved in ergosterol biosynthesis, including fungicide target genes (cyp51 genes), was significantly induced by metconazole. Nine ATP-binding cassette (ABC) transporter-encoding genes were significantly expressed in response to metconazole treatment. Reduced ergosterol production and antioxidant enzyme activities were observed after metconazole treatment. Greenhouse experiments indicated a significant reduction in crown rot occurrence in wheat after seed treatment with metconazole. This study evaluated the potential of metconazole to manage wheat crown rot and provides information to understand its antifungal activities and mechanism of action against F. pseudograminearum.

Evaluation of the Impacts of Potassium Bicarbonate, Moringa oleifera Seed Extract, and Bacillus subtilis on Sugar Beet Powdery Mildew.

Powdery mildew disease, caused by Erysiphe betae, is one of the most threatening diseases on sugar beet plants worldwide. It causes a great loss in the root yield, sugar percentage, and quality of produced sugar. In the current study, we aimed to evaluate the susceptibility of 25 sugar beet cultivars to infection with powdery mildew disease under Egyptian conditions. Moreover, we evaluated the impacts of three eco-friendly materials, including potassium bicarbonate (KHCO3; at 5 and 10 g L-1), Moringa oleifera seed extract (25 and 50 g L-1), and the biocontrol agent, Bacillus subtilis (108 cell suspension) against E. betae in two successive seasons 2020 and 2021. Our findings showed that there were significant differences between these 25 cultivars in their susceptibility to the disease under study. Using the detached leaves technique in vitro, B. subtilis showed strong antifungal activity against E. betae. Moreover, both concentrations of KHCO3 and moringa seed extract significantly reduced the disease severity. Under field conditions, tested treatments significantly reduced the severity of powdery mildew disease and prevented E. betae from producing its conidiophores and conidia. Scanning electron microscope examination of treated leaves demonstrated the presence of the decomposition of fungal hyphae, conidiophores, conidia, and the occurrence of plasmolysis to fungal cells and spores on the surface of the leaves. Furthermore, these treatments greatly improved the percent of sucrose and soluble solids content, as well as the enzymatic activity of peroxidase, polyphenol oxidase, and phenylalanine ammonia-lyase. It is noteworthy that treatment with moringa seed extract gave the best results, followed by potassium bicarbonate, then B. subtilis cell suspension. Generally, it is recommended to use the substances used in this research to combat powdery mildew to minimize or prevent the use of chemical fungicides harmful to public health and the environment.

Development of EVA and LLDPE polymer-based carvone and spearmint essential oil release systems for citrus postharvest diseases applications

Carvone and spearmint essential oil vapours are suitable candidates for the control of citrus postharvest pathogens due to their strong antifungal activity. However, the high volatility of essential oils remains a hurdle that needs to be overcome before it can be applied as an alternative fungicide. This work investigates the antifungal activity of 20 and 30 wt-% spearmint essential oil or carvone, incorporated into ethylene–vinyl acetate (EVA) and linear low-density polyethylene (LLDPE) strands postharvest pathogens affecting kumquats. Following the melt-extrusion process, an average yield of 16–29 % and 15–28 % of the total carvone and spearmint essential oil, respectively, was determined in the polymer strands. Morphological studies using scanning electron microscopy (SEM) revealed the presence of microporous structures in the internal structure of the strands. The membrane-like skin that covers the polymer strand was also confirmed by SEM. Variations in the release rates were observed between carvone and spearmint essential oils, which was attributed to the difference in the vapour pressure of the neat essential oils. Furthermore, in this study, the results demonstrated that the diffusion exponent ‘n’ of the Korsmeyer–Peppas, Weibull and Log-logistic models exceeded 1.0. In most cases, the Super Case II mechanism was observed. In the case of the Mapossa model, as k2 was ˃> 1, it implies that the outer skin-like membrane covering the polymer strand fully controlled the carvone release. The application of the essential oil-loaded polymer strands resulted in a significant reduction in deterioration, caused by citrus postharvest pathogens, of kumquats kept at room temperature for 21 days. This study indicates that the incorporation of spearmint essential oil or carvone into LLDPE or EVA polymer strands promoted the preservation of kumquat over a 21-day period.

Enhancing the functional properties of fish gelatin mats by dual encapsulation of essential oils in β-cyclodextrins/fish gelatin matrix via coaxial electrospinning

In this study, three EOs, namely cinnamaldehyde (CEO), limonene (LEO) and eugenol (EEO), together with β-cyclodextrins (βCD) were encapsulated in the core of nanofibers via coaxial electrospinning to improve the functional properties of fish gelatin mat. The successful fabrication of nanofibers was verified by transmission electron microscopy (TEM) and an average fiber diameter of 251–378 nm was observed by scanning electron microscopy (SEM). Attenuated Fourier-transform infrared (ATR-FTIR) indicated a physical type of interaction between gelatin and EOs. Melting temperature (Tm) of nanofiber mats was improved with the incorporation of EOs-βCD while reduced mechanical strength was noticed. The encapsulation efficiency (EE) of EOs in nanofiber mats ranged from 69.7 to 93.2%. A significantly enhanced antioxidant activity was noticed for nanofiber mats as evaluated through 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric reducing antioxidant power (FRAP) assay. Similarly, nanofiber mats presented strong antifungal activity when tested against Aspergillus niger. The developed nanofibers provided decent functional stability for 60 days by preserving the activity of dually encapsulated EOs. Finally, the nanofiber mats offered good control against the microbial spoilage of wheat bread stored for 10 days at ambient conditions. Thus, the developed nanofiber mats could be suitable for potential application as active packaging for low-to-intermediate moisture foods.

Chemical elicitation as an avenue for discovery of bioactive compounds from fungal endophytes.

The present study investigated the molecular phylogeny, antimicrobial and cytotoxic activities of fungal endophytes obtained from the A*STAR Natural Organism Library (NOL) and previously isolated from Sungei Buloh Wetland Reserve, Singapore. Phylogenetic analysis based on ITS2 gene suggests that these isolates belong to 46 morphotypes and are affiliated to 23 different taxa in 17 genera of the Ascomycota phylum. Colletotrichum was the most dominant fungal genus accounting for 37% of all the isolates, followed by Diaporthe (13%), Phyllosticta (10.9%) and Diplodia (8.7%). Chemical elicitation using 5-azacytidine, a DNA methyltransferase inhibitor and suberoylanilide hydroxamic acid, a histone deacetylase inhibitor resulted in an increase in the number of active strains. Bioassay-guided isolation and structural elucidation yielded pestahivin and two new analogues from Bartalinia sp. F9447. Pestahivin and its related analogues did not exhibit antibacterial activity against Staphylococcus aureus but displayed strong antifungal activities against Candida albicans and Aspergillus brasiliensis, with IC50 values ranging from 0.46 ± 0.06 to 144 ± 18µM. Pestahivin and its two analogues furthermore exhibited cytotoxic activity against A549 and MIA PACA-2 cancer cell lines with IC50 values in the range of 0.65 ± 0.12 to 42 ± 5.2µM. The finding from this study reinforces that chemical epigenetic induction is a promising approach for the discovery of bioactive fungal secondary metabolites encoded by cryptic gene clusters.

Synthesis of Fully Deacetylated Quaternized Chitosan with Enhanced Antimicrobial Activity and Low Cytotoxicity.

Fully deacetylated quaternary chitosan (DQCTS) was prepared by replacing the carboxyl group of chitosan with a quaternary ammonium salt. The DQCTS was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), and nuclear magnetic resonance (NMR). The antimicrobial activity of DQCTS was evaluated using the minimum inhibitory concentrations (MIC) methods and time-kill assay. DQCTS exhibited strong antibacterial and antifungal activity against Staphylococcus aureus, Escherichia coli O157: H7, Candida albicans, and Aspergillus flavus. Especially, the antifungal activity against C. albicans of DQCTS was greatly improved at 15.6 µg/mL of MIC and 31.3 µg/mL of minimum fungicidal concentration (MFC). Expression levels of virulence genes of microorganisms were also significantly decreased by DQCTS treatment, and the risk of virulence of microorganisms might be decreased. The result of the cytotoxic effect of DQCTS on human skin cells (HaCaT cells) indicated that the cytotoxicity of DQCTS on HaCaT cells was nearly non-toxic at 50 μg/mL. The DQCTS, with strong antimicrobial and low toxicity, has a high potential for use in functional food packaging and biomedical applications.

Evaluation of the Antifungal, Antioxidant, and Anti-Diabetic Potential of the Essential Oil of Curcuma longa Leaves from the North-Western Himalayas by In Vitro and In Silico Analysis.

Essential oils (EOs) have gained immense popularity due to considerable interest in the health, food, and pharmaceutical industries. The present study aimed to evaluate the antimicrobial and antioxidant activity and the anti-diabetic potential of Curcuma longa leaf (CLO) essential oil. Further, major phytocompounds of CLO were analyzed for their in-silico interactions with antifungal, antioxidant, and anti-diabetic proteins. CLO was found to have a strong antifungal activity against the tested Candida species with zone of inhibition (ZOI)-11.5 ± 0.71 mm to 13 ± 1.41 mm and minimum inhibitory concentration (MIC) was 0.63%. CLO also showed antioxidant activity, with IC50 values of 5.85 ± 1.61 µg/mL using 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assay and 32.92 ± 0.64 µM using ferric reducing antioxidant power (FRAP) assay. CLO also showed anti-diabetic activity with an IC50 of 43.06 ± 1.24 µg/mL as compared to metformin (half maximal inhibitory concentration, IC50-16.503 ± 0.66 µg/mL). Gas chromatography-mass spectrometry (GC-MS) analysis of CLO showed the presence of (-)-zingiberene (17.84%); 3,7-cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-(15.31%); cyclohexene, 4-methyl-3-(1-methylethylidene) (12.47%); and (+)-4-Carene (11.89%) as major phytocompounds. Molecular docking of these compounds with antifungal proteins (cytochrome P450 14 alpha-sterol demethylase, PDB ID: 1EA1, and N-myristoyl transferase, PDB ID: 1IYL), antioxidant (human peroxiredoxin 5, PDB ID: 1HD2), and anti-diabetic proteins (human pancreatic alpha-amylase, PDB ID: 1HNY) showed strong binding of 3,7-cyclodecadien-1-one with all the selected protein targets. Furthermore, molecular dynamics (MD) simulations for a 100 ns time scale revealed that most of the key contacts of target proteins were retained throughout the simulation trajectories. Binding free energy calculations using molecular mechanics generalized born surface area (MM/GBSA), and drug-likeness and toxicity analysis also proved the potential for 3,7-cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene) to replace toxic synthetic drugs and act as natural antioxidants.

Antifungal activity of the volatile organic compounds produced by Ceratocystis fimbriata strains WSJK-1 and Mby.

Microorganism-produced volatile organic compounds (VOCs) are considered promising environmental-safety fumigants in food preservation. In this study, the VOCs from fungal Ceratocystis fimbriata strains (WSJK-1, Mby) were tested against postharvest fungi Monilinia laxa, Fusarium oxysporum, Monilinia fructicola, Botrytis cinerea, Alternaria solani, and Aspergillus flavus in vitro. The mycelial growth was significantly inhibited, in particular M. fructicola and B. cinerea (76.95, 76.00%), respectively. VOCs were identified by headspace solid-phase microextraction coupled with Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS); 40 compounds were identified. The antifungal activity of 21 compounds was tested by the minimum inhibitory concentrations (MIC) value. Benzaldehyde, 2-Phenylethanol, and 1-Octen-3-ol showed strong antifungal activity with the MIC in vitro ranging from 0.094 to 0.284 ml L-1 depending on the pathogen tested. The optical microscope showed serious morphological damage, including cell deformation, curling, collapse, and deficiency in mycelial or conidia cell structures treated with C. fimbriata VOCs and pure compounds. In vivo tests, C. fimbriata VOCs decreased brown rot severity in peaches, and compounds Benzaldehyde and 2-Phenylethanol could reduce peach brown rot in peaches at 60 μl L-1. The VOCs produced by C. fimbriata strain have good antifungal effects; low concentration fumigation could control peach brown rot. Its fragrance is fresh, safe, and harmless, and it is possible to replace chemical fumigants. It could be used as a potential biofumigant to control fruit postharvest transportation, storage, and food preservation. To the best of our knowledge, this is the first report on the antifungal activity and biocontrol mechanism of VOCs produced by C. fimbriata.

Antifungal activity and genomic characterization of the biocontrol agent Bacillus velezensis CMRP 4489

The development of bio-based products has increased in recent years, and species of the Bacillus genus have been widely used for product development due to their elevated production of antimicrobial molecules and resistance to extreme environmental conditions through endospore formation. In this context, the antifungal potential of Bacillus velezensis CMRP 4489 was investigated using in silico predictions of secondary metabolites in its genome and in vitro tests against the following phytopathogenic fungi: Sclerotinia sclerotiorum, Macrophomina phaseolina, and Botrytis cinerea. The in-silico predictions indicated that CMRP 4489 possesses several Biosynthetic Gene Clusters (BGCs) capable of producing molecules with antifungal properties and other non-identified BGCs. The in vitro assay results evidenced strong antifungal activity, inhibiting more than 60% of the tested fungi, and the isolate’s molecules were stable under diverse physicochemical conditions. The in vitro assay evidenced significant antifungal activity, deformation of the hyphal structure in SS, biofilm formation capacity, and swarming motility. In the colonization assay, we observed attachment, colonization, and net-shaped biofilm formation, with the strain transitioning from the seeds to nearby structures. Therefore, CMRP 4489 showed to be a potential biocontrol agent against various diseases with agronomic importance and can be used under adverse environmental conditions.

Thais savignyi tissue extract: bioactivity, chemical composition, and molecular docking

Context Thais savignyi Deshayes (Muricidae) is widely distributed in the Red Sea. Its abundance and the history of Muricidae in traditional medicine make it a tempting target for investigation. Objective To investigate the chemical profile and biological activities of T. savignyi tissue extracts. Materials and methods Methanol, ethanol, acetone, and ethyl acetate extracts from T. savignyi tissue were compared in their antioxidant by total antioxidant capacity, DPPH free radical scavenging, and total phenolic content. In addition, the antimicrobial, and antibiofilm properties (at 250 µg/mL) of the extracts were tested against Escherichia coli, Pseudomonas aeruginosa, Proteus vulgaris, Klebsiella pneumoniae, Staphylococcus aureus, and Candida albicans. The antioxidant extract with greatest activity was assessed for cytotoxicity (range 0.4–100 µg/mL) against 3 human cancer cell lines (UO-31, A549 and A431), and its chemical composition was investigated using GC-MS. Moreover, docking simulation was performed to predict its constituents’ binding modes/scores to the active sites of thymidylate kinase. Results The ethyl acetate extract (Ts-EtOAc) showed the highest total antioxidant capacity (551.33 mg AAE/g dry weight), total phenolics (254.46 mg GAE/g dry weight), and DPPH scavenging (IC50= 24.0 µg/mL). Ts-EtOAc exhibited strong antibacterial (MIC: 3.9 µg/mL against K. pneumoniae), antibiofilm (MIC: 7.81 µg/mL against S. aureus), and antifungal (MIC: 3.9 µg/mL against C. albicans) activities and considerable cytotoxicity against cancer cells (UO-31: IC50= 19.96 ± 0.93, A549: IC50= 25.04 ± 1.15 μg/mL). GC-MS identified multiple bioactive metabolites in Ts-EtOAc extract belonging to miscellaneous chemical classes. Molecular docking studies revealed that the constituents of Ts-EtOAc have antibacterial potential. Discussion and conclusions T. savignyi extract has considerable antimicrobial and cytotoxic activities. Further studies are needed to isolate the active constituents of this snail for comprehensive drug discovery tests.

Mycosynthesis of highly fluorescent selenium nanoparticles from Fusarium oxysporum, their antifungal activity against black fungus Aspergillus niger, and in-vivo biodistribution studies.

In the past few years, photo-luminescent inorganic materials have been studied extensively as fluorescent sensors, and diagnostic and bioimaging tools. The assessment of photoluminescence (PL) properties of selenium nanoparticles (Se NPs), especially mycosynthesized Se NPs, is still in its infancy. Herein, we have biosynthesized highly dispersed fluorescent Se NPs (42 nm) using endophytic fungus Fusarium oxysporum, and fully characterized them using sophisticated instruments like TEM, XRD, UV–Vis spectrophotometer, FTIR, and PL spectrometer. To determine the therapeutic efficacy and side effect profiles, these crystalline Se NPs were radiolabeled with technetium-99m (99mTc) and their biodistribution and renal clearance times were investigated in the normal Wister rat. The results showed that these Se NPs may be useful for targeting the lungs and liver dysfunction as significant accumulation of these NPs was observed in the liver (approx. 19.47 ± 4%) and lungs (at 6 ± 1%) after 10 min of post-injection. Quick circulation and the presence of Se NPs in kidney (3.8 ± 2%) also suggested the easy excretion of these NPs from the body through urinary tract. Furthermore, the antioxidant activity of Se NPs (IC50, 159.5 μg/mL) has been investigated using DPPH free radical scavenging assay with scavenging efficacy of 80.4% where ascorbic acid (IC50, 5.6 μg/mL) was used as a positive control. Additionally, the microscopic study of the inhibition zone encircled around Se NPs confirmed their strong antifungal and antisporulant activity against the black fungus Aspergillus niger.