Antifungal Studies Research Articles

In Vitro Antioxidant and Antifungal Activities of Extracts from Ocimum basilicum Leaves Validated by Molecular Docking and ADMET Analysis.

The aim of study is to investigate the various mechanism-based antioxidant and anti-fungal properties of a hydroalcoholic extract of Ocimum basilicum L leaves. Additionally, conduct molecular docking to simultaneously validate in vitro activities. Also, perform ADMET analysis to know pharmacokinetic properties and its toxicity for its safety. Prior extract's qualitative analysis has been performed to identify the bioactive compounds by phytochemical tests and GC-MS analysis. Different mechanism-based in vitro antioxidant methods are studied; in different methods, different IC50 values have come, which revealed the extract's antioxidant potentials. The antifungal potential of the extract has been observed by performing a modified poison food assay and a time-killing curve assay. In silico analysis with the human peroxiredoxin 5 enzyme (PDB ID: 1HD2) and secreted aspartic proteinase (PDB ID: 2QZX), which predict extract biological activity, has shown promising results of Ocimum basilicum L extract. In silico findings confirm the in vitro experimental outcome of the extract. The different IC50 values of extracts in different mechanisms indicate their therapeutic potential, and that encourages further research in formulation development. The time-killing assay method gives information about a dynamic interaction between extract and microbial strain. Concentration-dependent antifungal studies have significance in formulation development for dose determination.

Synthesis, spectroscopic characterization, DFT analysis, antibacterial, antifungal, antioxidant, molecular docking, and ADME study of 3,4-dihydro-2H-napthalen-1-one tagged chalcone derivatives

Chalcone derivatives were synthesized from 3,4-dihydro-2H-naphthalen-1-one using a base-catalyzed Claisen-Schmidt reaction and characterized by FT-IR, ¹H NMR, and ¹³C NMR spectroscopy. Density functional theory (DFT) with the B3LYP/6-311G(d,p) basis set was employed to explore the structural, electronic, and quantum properties of the compounds. Simulated electronic absorption spectra for compounds 3c and 3e in gas phase, DMSO, and DCM were generated using time-dependent DFT (TD-DFT). Compound 3c's first singlet excited state shifted from 376.10 nm in the gas phase to 390.08 nm in DMSO, while compound 3e shifted from 381.58 nm to 383.54 nm in DMSO. Experimental absorption values matched the theoretical predictions, with higher oscillator strengths in DMSO and DCM indicating solvent-enhanced transition probabilities. The antimicrobial activity of the chalcones was evaluated against four bacterial strains (E. coli, B. subtilis, S. aureus, and Streptococcus spp.) and four fungal strains (R. oryzae, P. chrysogenum, A. niger, and C. albicans). Compounds 3d and 3f showed strong antibacterial activity with MIC values of 3.9 µg/mL and moderate antifungal activity. Antioxidant properties were assessed using DPPH and hydroxyl radical assays, with compound 3d demonstrating 75.8 % and 76.4 % scavenging activity for OH and DPPH radicals, respectively. ADME studies were conducted to evaluate pharmacokinetics, and molecular docking studies revealed strong binding affinities. Compounds 3a and 3e had docking scores of -8.7 kcal/mol with the E. coli protein (PDB ID: 1KZN), while 3d and 3f performed best against B. subtilis (PDB ID: 1BAG) and S. aureus gyrase (PDB ID: 2XCT), with scores of -9.1 and -8.3 kcal/mol, respectively. Molecular dynamics simulation of compound 3d with 1BAG over 100 ns confirmed stable binding. These findings suggest chalcone derivatives have strong potential for pharmaceutical development.

Microwave assisted synthesis, spectral characterization of novel [N-methyl-3t-alkyl-2r,6c-diarylpiperidin-4-ylidine]-5’,5’-dimethylthiazolidine-4-ones for antimicrobial and antimycobacterial activities: Docking Investigation

A series of novel [N-methyl-3t-alkyl-2r,6c-diarylpiperidin-4-ylidine]-5’,5’-dimethylthiazolidine-4-ones (1-4) were synthesized using recyclable and environmentally friendly Amberlite IR-120H resin as a unique and highly efficient catalyst under microwave irradiation. The synthesized compounds were characterized by FT-IR and NMR spectral studies, which indicated that the piperidine ring adopts a chair conformation with equatorial orientations of the aryl groups and the methyl group at C-3. Notably, E and Z isomers were formed for all compounds. Antibacterial, antifungal, and antimycobacterial studies revealed that all compounds exhibited good activity against the tested bacterial and fungal strains. Among these, compound 1 was particularly effective against Staphylococcus aureus compared to the standard drug Streptomycin, and it also showed higher activity against Candida albicans and Aspergillus flavus than the standard drug Amphotericin B. Furthermore, compound 1 displayed significant anti-tubercular activity against Mycobacterium tuberculosis H37Rv. These antimicrobial activities are attributed to the presence of an electron-withdrawing group in the aryl moiety, highlighting the compounds' potential for developing new antimicrobial therapies. The use of recyclable Amberlite IR-120H resin as a catalyst with microwave irradiation in the synthesis of these novel thiazolidine derivatives highlights an environmentally friendly and efficient approach.

Synthesis, Characterization and Antifungal Studies of Novel Substituted Benzaldehyde Derivatives of 2-Amino-6-ferrocenyl-4-phenylpyrimidine

A series of novel 2-amino-6-ferrocenyl-4-phenylpyrimidine (AFPP) derivatives (6a-j) have been synthesized by coupling AFPP with thioglycolic acid and various substituted benzaldehydes (a-j) using standard 1,3-dicyclohexylcarbodiimide (DCC) protocol. The synthesized compounds were characterized by FTIR, 13C NMR, 1H NMR and MS techniques. The synthesized compounds 6a-j were evaluated for antifungal activities against Candida albicans MTCC 183. Comparing compounds 6a-j to standard amphotericin B, it was found that the synthesized compounds showed excellent activity.

In-silico ADME Evaluation and Molecular Docking of a Novel Compound’ 2-(4-Allylpiperazin-1-Yl)-1-(1-(4-Nitrophenyl)-1h-Tetrazol-5-Yl) Ethanone’ as Potential Antimicrobial Agents.

Molecular docking serves as a pivotal tool in comprehending drug-receptor interactions within modern-day drug design. In a previous report, new compounds 2-(4-allylpiperazin-1-yl)-1-(1-aryl-1H-tetrazol-5-yl) etalons were analyzed. Among these compounds, ‘2-(4-allylpiperazin-1-yl)-1-(1-(4-nitrophenyl)-1H-tetrazol-5-yl)ethanone’ was singled for molecular docking as it shows dual antibacterial and antifungal studies. Docking investigations revealed promising binding affinity of the compound towards Escherichia coli (1KZN), exhibiting significant antibacterial activity of docking grade -5.53 Kcal/mol, indicative of a fortified binding interaction. Conversely, the compound exhibited weaker binding affinity towards Candida albicans (1AI9) with a docking grade of -0.72 Kcal/mol. Negative binding energy signifies a robust alignment between the ligand and target protein, suggesting potential therapeutic efficacy against microbial activity. Moreover, in-silico ADMET calculations were conducted, and the synthesized compound confirms the drug-likeness within the defined parameters: molecular weight between 150 to 500 g/mol, TPSA polarity between 20 to 130 Å2 , lipophilicity ranging between -0.7 to +5.0 Log S not exceeding 6, flexibility not exceeding 9, and saturation not inferior to 0.25. The compound demonstrated compliance with these criteria, suggesting favorable in-vivo drug absorption and permeation characteristics.

Development and Characterization of Oxiconazole Loaded Plga Nanogel.

The goal of the current study is to develop and improve polylactic co-glycolic acid (PLGA) loaded with oxiconazole nanogel for topical application. Oxiconazole Nanoprecipitation was used to create the nanoparticles method using PLGA and acetone. The point prediction method served as the foundation for the ideal oxiconazole nanoparticle composition using the Minitab®21 software, three levels two factors (32 ). The optimized composition of oxiconazole nanoparticle showed a particle size of 185 ± 0.5nm with an entrapment efficiency of 95.2 ± 0.09%. Using chitosan, a naturally occurring polymer, the ideal oxiconazole nanoparticle composition was further transformed into a gel formulation. The developed topical nano gel formulation underwent additional evaluations for antifungal, drug release, permeability, and nano gel characterization. The developed oxiconazole nanogel formulation had the ideal drug content, pH, viscosity, and spreadability. The results of the medication release and penetration investigation showed that Oxiconazole released slowly (74.06 ± 0.5%) with significantly enhanced permeation across Franz diffusion cell using membrane. The antifungal ex-vivo study and skin irritancy study of nanogel results would conclude higher activity of oxiconazole nano gel. According to the overall analysis of the data, oxiconazole nanogel is the best delivery method for treating fungal infections on the skin.

Biological and Computational Studies of Hydrazone based Transition Metal(II) Complexes.

In the chronicles of human history, infectious diseases played a pivotal role, influencing societies, steering advancements in medicine, and significantly impacting the well-being of people worldwide. Consequently, in the pursuit of identifying effective combating agents for infectious ailments, the Co(II), Ni(II), Cu(II), Zn(II) complexes of N'-(4-nitrobenzylidene)benzohydrazide were synthesized in the current investigation. Numerous spectral and physical analysis were conducted to characterize the compounds which revealed octahedral stereochemistry of complexes. The anti-tuberculosis, anti-inflammatory, antibacterial and antifungal investigations demonstrated that the compounds (1-5) have significant efficacy for these infectious ailments. The [Zn(L)2(H2O)2] complex (5) has comparable TB inhibition potency to streptomycin as shown by MIC value of 0.0196 ± 0.0003 µmol/mL. Additionally, the anti-inflammatory, antibacterial and antifungal studies also revealed the comparable inhibiting property of (5) to standard drugs with significant IC50 (07.49 ± 0.08 µM) and MIC (0.0098 µmol/mL) values. Furthermore, pharmacophore modeling with addition of molecular docking, DFT, MESP, ADMET were employed against (1-5) to give a new insight in biological evaluations. The pharmacophore modeling suggested that (5) has a distinctive pharmacophoric features including cationic sites, hydrogen-bond donors and acceptors which provide valuable insights into drug design for pharmacological applications. Moreover, another in silico investigations authenticate the bioactivity of (5).

Antifungal Activity and Multi-Target Mechanism of Action of Methylaervine on Candida albicans.

The discovery of a lead compound against Candida albicans is urgently needed because of the lack of clinically available antifungal drugs and the increase in drug resistance. Herein, a β-carboline alkaloid methylaervine (MET) exhibited potential activity against C. albicans (MIC = 16-128 μg/mL), no hemolytic toxicity, and a low tendency to induce drug resistance. An antifungal mechanism study indicated that MET effectively inhibited the biofilm formation and disrupted the mature biofilm. Moreover, filamentation formation and spore germination were also weakened. The electron microscopy analysis revealed that MET could damage the cell structure, including the cell wall, membrane, and cytoplasm. In particular, the permeability and integrity of the cell membrane were destroyed. When it entered the fungi cell, it interfered with the redox homeostasis and DNA function. Overall, MET can inhibit the growth of C. albicans from multiple channels, such as biofilm, filamentation, cell structure, and intracellular targets, which are difficult to mutate at the same time to generate drug resistance. This work provides a promising lead compound for the creation of new antifungal agents against C. albicans.

Synthesis and characterization of hydrazone derivative and its antibacterial, antifungal, antimalarial and antituberculosis activity studies

Synthesis and characterization of hydrazone derivative and its antibacterial, antifungal, antimalarial and antituberculosis activity studies

Synthesis, Characterization, Antimicrobial and DFT Studies of Novel Quinolino‐Pyrazole Derivatives

AbstractSynthesis of novel (E)‐N‐(4‐(substituted)benzylidene)‐6‐substituted‐1H‐pyrazolo[3,4‐b]quinoline‐1‐carbothioamides/carboxamides was achieved by the condensation of 6‐substituted‐1H‐pyrazolo[3,4‐b]quinoline‐1‐carbothioamides/carboxamides with substituted benzaldehydes in alcoholic medium in the presence of acetic acid. The structures of synthesized compounds are assigned on the basis of FT IR, 1H NMR, 13C NMR and Mass Spectral data. The compounds are subjected for their antibacterial, antifungal and DFT studies. Compounds, (E)‐6‐chloro‐N‐(4‐(dimethylamino)benzylidene)‐1H‐pyrazolo[3,4‐b]quinoline‐1‐carbothioamide (5 b), (E)‐6‐chloro‐N‐(4‐(dimethylamino)benzylidene)‐1H‐pyrazolo[3,4‐b]quinoline‐1‐carboxamide (5 f), and (E)‐6‐chloro‐N‐(4‐hydroxybenzylidene)‐1H‐pyrazolo[3,4‐b]quinoline‐1‐carboxamide (5 j) possessed pronounced antibacterial and antifungal activities due to their chemical structure.

Discovery of petroselinic acid with in vitro and in vivo antifungal activity by targeting fructose-1,6-bisphosphate aldolase

BackgroundThe incidence of invasive fungal diseases (IFDs), represented by Candida albicans infection, is increasing year by year. However, clinically available antifungal drugs are very limited and encounter challenges such as limited efficacy, drug resistance, high toxicity, and exorbitant cost. Therefore, there is an urgent need for new antifungal drugs. PurposeThis study aims to find new antifungal compounds from plants, preferably those with good activity and low toxicity, and reveal their antifungal targets. MethodsIn vitro antifungal activities of compounds were investigated using broth microdilution method, spot assay, hyphal growth assay and biofilm formation assay. Synergistic effects were assessed using broth microdilution checkerboard technique. In vivo antifungal activities were evaluated using Galleria mellonella and murine candidiasis models. Cytotoxicity of compounds was investigated using Cell Counting Kit-8 (CCK-8). Discovery and validation of antifungal targets of compounds were conducted by using monoallelic knockout library of C. albicans, haploinsufficiency profiling (HIP), thermal shift assay (TSA), enzyme inhibitory effect assay, molecular docking, and in vitro and in vivo antifungal studies. Results814 plant products were screened, among which petroselinic acid (PeAc) was found as an antifungal molecule. As a rare fatty acid isolated from coriander (Coriandrum sativum), carrot (Daucus carota) and other plants of the Apiaceae family, PeAc had not previously been found to have antifungal effects. In this study, PeAc was revealed to inhibit the growth of various pathogenic fungi, exhibited synergistic effects with fluconazole (FLC), inhibited the formation of C. albicans hyphae and biofilms, and showed antifungal effects in vivo. PeAc was less toxic to mammalian cells. Fructose-1,6-bisphosphate aldolase (Fba1p) was identified as a target of PeAc by using HIP, TSA, enzyme inhibitory effect assay and molecular docking methods. PeAc exerted antifungal effects more effectively on fba1Δ/FBA1 than wild-type (WT) strain both in vitro and in vivo. ConclusionsPeAc is an effective and low toxic antifungal compound. The target of PeAc is Fba1p. Fba1p is a promising target for antifungal drug development.

New Benzylidene‐Triazole Tethered Coumarin Molecular Hybrids: Synthesis, SAR, Molecular Modelling Simulations Targeting Tubulin α/β Dimer and its Antimicrobial Evaluation

AbstractA series of new 7‐{3‐[3‐(Benzylidene‐amino)‐[1,2,4]triazole‐1‐yl]‐propoxy}‐4‐methyl‐chromen‐2‐one molecular hybrids 7(a–k) were synthesized using molecular hybridization approach. The synthesized new benzylidene‐triazole tethered coumarin molecular hybrids were characterized by spectroscopic studies and elemental analysis. The coumarin molecular hybrids have been explored for their antifungal efficacy in terms of tubulin inhibitors using molecular modelling studies against tubulin alphabeta hetero dimer protein. The results clearly demonstrated strong binding affinity of coumarin molecular hybrids with indole substituted and 2,4‐dihydroxy substituted as antagonists with respective binding scores of −10.5 and −10.7 kcal/mol towards tubulin alphabeta hetero dimer protein which was higher in comparison to standards griseofulvin (−8.2 kcal/mol) and fluconazole (−8.1 kcal/mol). In addition, broth dilution method was used to conduct in‐vitro antifungal studies against three fungal strains namely Candida albicans, Aspergillus niger and Aspergillus fumigatus. The results obtained clearly illustrate the antifungal activity of indole and 2,4‐dihydroxy substituted compounds which are consistent with docking simulations. Out of all the synthesized molecular hybrids, indole and 2,4‐dihydroxy substituted compounds depict outstanding antifungal activity with Minimum Inhibitory Concentration (MIC) value of 31.25 μg/ml and 62.5 μg/ml towards C.albicans and with MIC value of 31.25 for both these molecules towards A.niger in each case which is quite higher than griseofulvin and fluconazole respectively. Present work clearly demonstrates the potential efficacy of synthesized indole and 2,4‐dihydroxy substituted coumarin molecular hybrids to be considered as lead compounds for the development of new agents against resistant strains for the treatment of fungal infection.

Discovery of Novel Acethydrazide-Containing Flavonol Derivatives as Potential Antifungal Agents.

In this study, a series of novel hydrazide-containing flavonol derivatives was designed, synthesized, and evaluated for antifungal activity. In the in vitro antifungal assay, most of the target compounds exhibited potent antifungal activity against seven tested phytopathogenic fungi. In particular, compound C32 showed the best antifungal activity against Rhizoctonia solani (EC50 = 0.170 μg/mL), outperforming carbendazim (EC50 = 0.360 μg/mL) and boscalid (EC50 = 1.36 μg/mL). Compound C24 exhibited excellent antifungal activity against Valsa mali, Botrytis cinerea, and Alternaria alternata with EC50 values of 0.590, 0.870, and 1.71 μg/mL, respectively. The in vivo experiments revealed that compounds C32 and C24 were potential novel agricultural antifungals. 3D quantitative structure-activity relationship (3D-QSAR) models were used to analyze the structure-activity relationships of these compounds. The analysis results indicated that introducing appropriate electronegative groups at position 4 of a benzene ring could effectively improve the anti-R. solani activity. In the antifungal mechanism study, scanning electron microscopy and transmission electron microscopy analyses revealed that C32 disrupted the normal growth of hyphae by affecting the structural integrity of the cell membrane and cellular respiration. Furthermore, compound C32 exhibited potent succinate dehydrogenase (SDH) inhibitory activity (IC50 = 8.42 μM), surpassing that of the SDH fungicide boscalid (IC50 = 15.6 μM). The molecular dynamics simulations and docking experiments suggested that compound C32 can occupy the active site and form strong interactions with the key residues of SDH. Our findings have great potential for aiding future research on plant disease control in agriculture.

In-vitro Antifungal Susceptibility of Malassezia Dermatitis in Dogs

Malassezia dermatitis is a highly pruritic type of dermatitis which mainly produces itching, erythema as its primary skin lesion and secondary skin lesions includes scaling, seborrhoea, maldour, lichenification and hyperpigmentation. The present study was conducted to compare the antifungal efficacy of Ketoconazole, Itraconazole, and Terbinafine against Malassezia spp. and to evaluate the antifungal sensitivity of Malassezia species isolated from dermatitis cases in dogs in and around Jabalpur, Madhya Pradesh. A total of 100 skin swabs were collected from dogs with dermatological symptoms suggestive of Malassezia spp., out of which 87 swabs were successfully isolated and showed good growth on Sabouraud’s Dextrose Agar (SDA) during primary isolation from the skin swabs. For this, commercially available antifungal discs of Ketoconazole and Itraconazole were used whereas for Terbinafine antifungal disc was made due to lack of its availability. Based on in-vitro antifungal susceptibility studies, it can be concluded that Ketoconazole, Itraconazole, Fluconazole and Terbinafine were found to be effective against Malassezia dermatitis and can be advocated as the drug of choice for the treatment of Malassezia dermatitis in dogs.

Synthesis, characterization, and antifungal properties of chrome-doped hydroxyapatite thin films

The development of thin films of chromium-doped hydroxyapatite (20CrHAp) deposited on silicon substrate by the spin coating method was realized for the first time. A coherent investigation of the physicochemical properties of 20CrHAp thin films was also carried out for the first time. The obtained thin films were studied by various techniques such as, scanning electron microscopy (SEM), atomic force microscopy (AFM), Fourier transform infrared spectroscopy (FTIR) investigations and fractal analysis. By scanning electron microscopy (SEM) studies were obtained valuable information about the surface morphology of the 20CrHAp thin films. The zeta potential (ZP), Dynamic light scattering (DLS) and ultrasound measurements (US) were used in order to evaluate the stability of 20CrHAp suspension. The ratio between the hydrodynamic diameter obtained by DLS and the particle diameter obtained by SEM was 1.6. The SEM results on 20CrHAp thin films suggested that the sample possess a conglomerate of nanoparticles unevenly distributed on their surface. The surface morphology of the 20CrHAp thin films was studied with the aid of atomic force microscopy (AFM). The AFM topography of the 20CrHAp thin film's surface highlighted that the thin films present the morphology of a continuum deposited layer composed of non-uniform particle conglomerates. The presence of hydroxyapatite on the surface of silicium substrate was revealed by the results of Fourier transform infrared spectroscopy (FTIR) investigations. The antifungal evaluation of the 20CrHAp thin films was performed using Candida albicans 10,231 ATCC fungal strain. The antifungal assays results depicted that the 20CrHAp thin films inhibited the fungal biofilm formation. More than that, the results of the antifungal studies revealed that 20CrHAp thin films exhibited good inhibitory effects on the development of the fungal cells on their surface. Furthermore, our investigation delves into the realm of Minkowski Functionals and fractal/multifractal analysis as applied to the examined films. Our findings reveal that nanocomposite coatings containing 20CrHAp exhibit robust antifungal characteristics, suggesting their viability as a compelling solution for advancing antifungal devices in biomedical contexts.

Full factorial design-based development and characterization of ciclopirox olamine loaded transferosomes: An efficient approach for the management of Athlete's foot

The aim of the current research is to develop ciclopirox olamine (CO) loaded transferosomes to achieve enhanced permeation via thickened, dry, scaly, and cracked stratum corneum during athlete's foot, which conventional topical formulation fails to achieve. In addition, the potential of developed formulation was compared with marketed formulation via in vitro antifungal studies. CO-transferosomes were optimized and developed using design of experiment approach viz. 24 full-factorial design and employing four independent variables viz. ratio of edge activators viz. sodium deoxycholate (SDC) and tween 80, ratio of lipids viz. soya lecithin (SL), and cholesterol, ratio of solvent system i.e., chloroform and ethanol and volume of hydrating solvent viz. phosphate buffer saline PBS (pH 7.4). Rotary evaporation-sonication technique was used to formulate transferosomes. Particle size, polydispersity index (PDI), and zeta potential were three selected dependent variables. To comprehend the intricate interaction between the underlying variables and the outcome variables of the developed formulation, the response surface methodology suggested by Design Expert® was found to be desirable with a desirability value of 0.676. Based on desirability function, the optimized formulation was developed and characterized. The results of optimized formulation for particle size were found to be 124.2 ± 5.1 nm, PDI was 0.280 and a negative zeta potential value of −12.20 ± 6.49 mV. Furthermore, the drug entrapment efficiency was found to be 96.56 ± 0.08 % with a release of 95.67 ± 1.05 % at the end of 24h. The results of release kinetics displayed that the release followed Higuchi diffusion kinetics with highest regression coefficient, followed by zero order. Additionally, the formulation was evaluated for in vitro antifungal activity against Trichophyton mentagrophytes which revealed a wider zone of inhibition of 28.05 mm ± 0.86 as compared to the marketed formulation. The results of ex vivo skin permeation studies of CO-loaded transferosomes revealed high permeability of transferosomes with enhancement ratio of 2.2. Based on the promising results, it may be possible to treat athlete's foot with improved cutaneous distribution of ciclopirox olamine using transferosomes.

Ketoconazole Nanocrystals Fortified Gel for Improved Transdermal Applications

Ketoconazole (KTZ) is a commonly prescribed antifungal drug used to treat several tropical and systemic fungus infections. The topical bioavailability of KTZ is limited due to extremely low water solubility and high molecular weight. The present investigation aimed to develop a ketoconazole nanocrystals formulation to improve the biomimetic attributes. The ketoconazole nanocrystals were prepared using a top-down media milling technique with a size of less than 800 nm and a narrow polydispersity index (PDI) of 0.434. The simplex lattice design was used to further investigate the effect of change in the proportion of different stabilizers on critical product attributes such as particle size and PDI. The result of the in vitro drug release and anti-fungal study proved the superiority of the optimized KTZ nanocrystal in inhibiting fungal infection and suspension of pure drug. The optimized nanocrystals entrapped within Carbopol-934P gel had higher permeability through cellulose membrane compared, to the marketed product (2 % ketoconazole % w/w Ketodoc Cream®) with sustained release for 24 h. Moreover, the release profile indicated diffusion-controlled release from gel following Korsmeyer-Peppas. The present investigation successfully demonstrated the application of simplex lattice design and desirability function in optimizing ketoconazole nanocrystals to improve its transdermal application.

Production of Rhamnolipids using WFSO and its application in the development of antifungal nanoemulsion using Hydnocarpus Wightiana, Garcinia Cambogia - Seed oils

Presently, Industrial-scale demands for manufacturing rhamnolipids (RhLs) are not so developed; probably due to the high cost of the substrates and the rare demand for costlier surfactants. Therefore, the use of waste frying oils (WFSO) as substrates in RhLs manufacturing using Pseudomonas aeruginosa could be a notable substitute for the regularly used sources of oils and fatty acids to minimize manufacturing charges. WFSO as a byproduct normally consists of Linoleic acid as a prime fatty acid constituent. In the present work, P. aeruginosa yielded RhLs at an uttermost concentration of 7.4 g L−1; while constructional characteristics proved the presence majority of di-RhLs in the mixture. Also, on testing, the SFT (Surface Tension) reduced to 34.6±0.1 mN m−1; and an interfacial tension against heptane went down to 5.2±0.05 mN m−1. The oils from kernels of Hydnocarpus Wightiana and Garcinia cambogia were extracted separately; further, the detailed analysis showed the presence of their corresponding active fatty acids. In the initial screening of antifungal efficacy against Fusarium oxysporum (fusarium wilt) and Diplodia maydis (Diplodia ear and stalk rot of maize), RhLs shown the minimum inhibitory concentration (MIC) between 250 and 500 ppm, both extracted oils shown the MIC between 5 % and 10 %. Therefore, we decided to prepare the nanoemulsions (NEs) using 0.5 % RhLs, and 10 % of each respective extracted oil; which upon analysis showed the globule size as low as 110.9 nm and 147.0 nm respectively. The turbiscan study revealed that NEs made using RhLs as an adjuvant were found more stable than the alkyl polyglucosides, and the nanoemulsions containing RhLs showed higher levels of antifungal activity against F. oxysporum and D. maydis in the antifungal study. Thus, a successful utilization of the WFSO for the production of RhLs; and reduction in the probable water or soil pollution was achieved, as well as our RhLs bio-synthesis cost was much less as compared to the existing manufacturing process.

Green synthesis of bismuth vanadate nanostructures for efficient photocatalytic and biological studies

In the current investigation, BiVO4 nanoparticles were prepared via a simple combustion approach followed by annealing at 400°C using rain tree pod extract. The physicochemical and morphological features were examined through spectroscopic techniques. Optical studies were carried out using a UV–visible spectrophotometer, revealing a bandgap of 2.4 eV. Photocatalytic efficiency was assessed through degradation studies using methylene blue (MB) dye under visible photon irradiation, demonstrating an impressive 94 % degradation rate. Consequently, this synthesized bismuth vanadate serves as an outstanding photocatalyst under visible irradiation. Furthermore, these nanoparticles exhibited favorable responses in antifungal, antibacterial, and molecular docking studies. Bismuth vanadate nanoparticles had substantial antifungal efficacy, with the Bi2 version successfully suppressing Aspergillus Niger at a 50 % concentration. At 100 mg/ml, Bi2 showed a 6 mm zone of inhibition against Gram-positive Staphylococcus aureus and a 5 mm zone against Gram-negative Escherichia coli for antibacterial evaluation. The protein 7BLY and Bismuth vanadate had four hydrogen bond interactions and a strong binding affinity, as shown by molecular docking, of −5.0 Kcal/mol. Therefore, bismuth vanadate nanoparticles synthesized through green methods show promise in combating fungal and bacterial infections, as well as potential applications in various fields.

Structural investigations and antibacterial, antifungal and anticancer studies on zinc salicylaldimine complexes.

Aim: Zinc salicylaldimines may act as multidrug agents.Results: Three zinc salicylaldimines C1-C3 and respective ligands HL1-HL3 were examined for antimicrobial/anticancer drug action and C3 was structurally analyzed (tetrahedral, triclinic). Against two fungi, C1 inhibited Candida albicans with 12mm (21mm for amphotericin B). Among four bacteria, two ligands inhibited Staphylococcus aureus and Escherichia coli (9-10mm), but the complexes inhibited all bacteria with 10-14mm (21-26mm for ampicillin). The half-maximal inhibitory concentrations for the ligands, complexes and doxorubicin were 195.5-310.7, 22.18-70.05 and 9.66μM against cancerous MCF-7 cells and 186.4-199.9, 14.95-18.87 and 36.42μM against normal BHK cells.Conclusion: The complexation produced pronounced enhancement in the ligand antimicrobial/anticancer activities, despite these activities are moderate comparing with standards.