Good Antifungal Activity Research Articles

EFEKTIVITAS PENGGUNAAN Piper batle L. UNTUK MEMPERPANJANG MASA SIMPAN TELUR AYAM RAS

The consumption of chicken eggs capita per annual in Indonesia has been increasing rapidly from year to year. It shows that the demand for eggs is very high. Egg is a popular source of protein for Indonesian people. However, the quality of eggs will decrease over time if they are stored for a long time. This study aims to analysis the effectiveness of using betel leaves to extend the shelf life of eggs and their effect on protein and fat content. Data collection methods were carried out experimentally. Data analysis methods were carried out using statistical analysis, analysis of variance, BNT/LSD analysis, and regression. Wrapping eggs with betel leaves can extend the shelf life of eggs, even better than eggs stored in the refrigerator for 9 days or more. Based on the analysis of the anova test, it was proven that there was a significant difference between the use of betel leaves and other treatments. The cause is thought that betel leaves have good antibacterial and antifungal activities. The effect of betel leaves on egg quality is 43.9%. Similarly, the effect of wrapping eggs with betel leaves on protein and fat content. Betel leaves can prevent the decrease in protein and total fat content in eggs from a protein decrease of 50% to 49.52% and a fat decrease from 65.8% to 32.8%.

Phytochemical profile of Eranthis longistipitata Regel from three study sites in the Kazakhstan part of the Western Tien Shan

Abstract. Aimenova ZE, Matchanov AD, Esanov RS, Sumbembayev AA, Duissebayev SE, Dzhumanov SD, Smailov BM. 2023. Phytochemical profile of Eranthis longistipitata Regel from three study sites in the Kazakhstan part of the Western Tien Shan. Biodiversitas 24: 6031-6038. The aim of this study was to determine the phytochemical profile, the antifungal and antiradical potential of Eranthis longistipitata Regel from three study sites in the Kazakhstan part of the western Tien Shan region (in the territory of Aksu Jabagly State Nature Reserve). Sample collection was carried out in Taldybulak Gorge, Zhetymsai Gorge, and the valley of the Irsu River. The largest population of E. longistipitata was found in the valley of the Irsu River due to the high humidity and the higher availability of sunlight. The flavonoid compounds of the leaves and tubers of E. longistipitata collected in the Irsu River valley were analyzed by HPLC. Antifungal activity against Trichoderma lignorum, Fusarium oxysporum and Aspergillus niger was determined. The free radical activity was determined using DPPH. The results showed that the leaves and tubers of E. longistipitata growing in the Kazakh part of the western Tien Shan region contained rutin, apigenin, and gallic acid. The leaves of E. longistipitata had the highest rutin content (15.971 mg/g). The highest free radical scavenging activity was observed in the ethanol extract (3) of E. longistipitata leaves E. longistipitata leaves extract had good antifungal activity against F. oxysporum and A. niger (18.8 mm and 18.6 mm zones of inhibition, respectively).

Synthesis, X-ray Crystal Structure, and Antimicrobial Studies of New Quinazolin-4(3H)-one Derivatives Containing the 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole Moiety and 4-Piperidinyl Linker.

A total of 35 new quinazolinone derivatives bearing the 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole scaffold and the 4-piperidinyl linker were designed, prepared, and assessed for their antibacterial and antifungal activities. Among these derivatives, the chemical structure of compound F5 was clearly verified via single-crystal X-ray diffraction analysis. The experimental results revealed that some of the compounds displayed good even excellent inhibitory effects toward the tested phytopathogenic bacteria. For instance, compound F33 was capable of strongly inhibiting Xanthomonas oryzae pv. oryzae (Xoo) in vitro with an EC50 (half-maximal effective concentration) value of 4.1 μg/mL, about 16-fold more effective than the commercialized bactericide bismerthiazol. Significantly, this compound also effectively suppressed the proliferation of Xoo in the potted rice plants, showing a good in vivo protection efficacy of 47.6% at 200 μg/mL. Subsequently, the antibacterial mechanisms of compound F33 were explored by means of different biophysical and biochemical methods. Last, some of the compounds were found to possess relatively good antifungal activities in vitro, like compound F19 against Phytophthora nicotianae (with an inhibition rate of 67.2% at 50 μg/mL). In a word, the current experimental results imply that the 4-piperidinyl-bridged quinazolinone-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole derivatives possess potential as lead compounds for developing more efficient anti-Xoo bactericides.

In Silico Pharmacokinetics Properties and In Vitro Bioactivities of Pregnane Derivatives and Other Compounds From Stems of Caralluma speciosa

Objectives Caralluma speciosa (N.E. Br.) N.E. Br. (Asclepiadaceae) and other succulent plants of the genus Caralluma have mainly been known for their appetite suppressing and weight loss properties, due to the presence of pregnane compounds. This study aimed to investigate chemical constituents and evaluate antimicrobial and antioxidant activities of stems of C speciosa. Methods The chloroform and methanol stems extracts were subjected to silica gel chromatographic separation. The structures of isolated compounds were established by FT-IR, 1D-NMR, and GC-MS instruments, and in comparison with reported data. The antimicrobial and antioxidant activities were performed using agar disc diffusion and DPPH assaying methods. Results The phytochemical investigation afforded 5 compounds, 3 pregnane derivatives (3-5), and 2 other compounds, heptacos-1-ene (1) and di-(2-ethylhexyl) phthalate (2). The chloroform: methanol (1:1) extract showed a good antifungal activity against Candida albicans up to 25 mg/mL dose (9.00 ± 1.00 mm to 17.17 ± 1.04 mm), equivalent to ketoconazole standard (17.67 ± 2.52 mm at 0.01 mg/disc). Compounds 3 and 5 were found violated 3 of the Lipinski's rule of 5. Compounds 2 and 4 exhibited a carcinogenicity property; while compounds 3, 4, and 5 were found as immunotoxic isolates. Conclusion All the extracts and isolated compounds 1-5 showed a negligible antibacterial and antioxidant activities compared to the antibiotic chloramphenicol (7.3 ± 0.4 to 21.15 ± 0.5 mm) and antioxidant ascorbic acid (IC50 value of 5.62 µg/mL). Hence, further biological activities study (including the anticancer, anti-inflammatory, and antifungal activities) would be needed on all the extracts and isolated compounds to look for better efficacy and predict the structure–activity relationship of the compounds.

A review: Synthesis characterization and in vitro anti-mycobacterial activity of some novel benzothiazole

Heterocyclic compounds, analogs, and derivatives have received a lot of interest recently because of their advantageous biological and pharmacological properties. Flexible substrates include the heterocyclic compounds that benzothiazole and its analogs can be used to synthesize. The benzothiazole nucleus is utilized to create a wide variety of pharmaceuticals. The biological activity of benzothiazole derivatives has recently undergone some intriguing alterations. These compounds stand out in the world of medicinal chemistry due to their high pharmacological potential. According to the World Health Organisation, Mycobacterium tuberculosis is the most dangerous chronic disease that can spread. The spread of Mycobacterium tuberculosis resistance is a serious issue. The examined bacterial strains were only partially and ineffectively active. Mycobacterium tuberculosis (Mtb), the bacterium that causes human tuberculosis (TB), is more common in multidrug-resistant strains, which is one of the main factors driving the development of new drugs to treat this variety of diseases. They have also been subjected to a traditional method of testing for their antibacterial and antifungal qualities. According to the outcomes of the activities, compounds exhibited moderate to good antibacterial and antifungal activity.

An efficient multi-functional ternary reusable nanocomposite based on chitosan@TiO2@Ag NP immobilized on cellulosic fiber as a support substrate for wastewater treatment

To effectively remove heavy metals, organic contaminants, and pathogenic bacteria from wastewater, an efficient multi-functional ternary nanocomposite based on chitosan (CS), titanium dioxide (TiO2 NP), and silver nanoparticles (Ag NP) was prepared. Different tools were used to confirm the successful synthesis of the CS/TiO2 NP/Ag NP nanocomposite. Then, the CS/TiO2 NP/Ag NPnanocomposite was immobilized on the cellulosic fiber as a support substrate for its easy removal and reuse. On a lab scale, CS/TiO2 NP/Ag NP nanocomposite@cellulosic fiber was used to remove Cu (II) ions, methyl orange (MO), and methylene blue (MB), as well as inhibit microbes.The results demonstrate that the greatest removal of Cu (II) ions was 95 % at a concentration of 50 mg/L, pH 5, a temperature of 25 °C, an agitation speed of 200 rpm with 1 g adsorbent dose, and a contact time of 150 min. The pseudo-second-order model explained the batch adsorption kinetics well, while the Langmuir model explained the adsorption isotherm well with an adsorption capacity of 7.71 mg/g. Adsorption thermodynamic parameters revealed that adsorption is a spontaneous, exothermic, increased randomness, and non-specific chemisorption approach.The photodegradation of MO and MB by CS/TiO2 NP/Ag NP nanocomposite@cellulosic fiber was investigated. The results reveal that at pH 3, the MO dye showed the highest photodegradation percentage (90 %), while the MB dye displayed the highest photodegradation percentage (94 %) at pH 11, after an irradiation time of 120 min under visible light. The rate constants for MO and MB were 0.01218 and 0.01412 min−1, respectively. The results antimicrobial activities showed that the CS/TiO2 NP/Ag NP nanocomposite@cellulosic fiber showed excellent antibacterial activity against S. aureus (95 ± 2 %) and E. coli (93 ± 3 %) as well as good antifungal activity against C. albicans (77 ± 2 %).

Occurrence and Chemical Control Strategy of Wheat Brown Foot Rot Caused by Microdochium majus.

Wheat brown foot rot (WBFR), caused by a variety of phytopathogenic fungi, is an important soilborne and seedborne disease of wheat. WBFR causes wheat lodging and seedling dieback, which seriously affect the yield and quality of wheat. In this study, 64 isolates of WBFR were isolated from different wheat fields in Yancheng city, Jiangsu Province, China. The internal transcribed spacer, elongation factor 1α, and RNA polymerase II subunit were amplified and the sequencing results of the fragments were analyzed with BLAST in NCBI. Through morphological and molecular identification, all of the isolates were identified as Microdochium majus. Verification by Koch's postulates confirmed that M. majus was the pathogen causing WBFR. The antifungal activities of fludioxonil and prochloraz against 64 isolates of M. majus were determined based on mycelial growth inhibition method. The results showed that fludioxonil and prochloraz had good antifungal activity against M. majus. The mean 50% effective concentration values of fludioxonil and prochloraz against M. majus were 0.2956 ± 0.1285 μg/ml and 0.0422 ± 0.0157 μg/ml, respectively. Control efficacy for seed-coating treatments conducted in a greenhouse indicated that M. majus severely damaged the normal growth of wheat, while seed coating with fludioxonil or prochloraz significantly reduced the disease incidence and improved the seedling survival rates. At fludioxonil doses of 7.5 g per 100 kg and prochloraz doses of 15 g per 100 kg, the incidence was reduced by 22.26 and 25.33%, seedling survival rates increased by 25.37 and 22.66%, and control efficacy reached 70.02 and 72.30%, respectively. These findings provide vital information for the accurate diagnosis and effective management of WBFR.

Effect of Cu doping on structural and magnetic properties of Cu x Zn1-x Fe2O4 nanoparticles for biomedical applications

Nano-ferrites with chemical equation Cu x Zn1-x Fe2O4 (x = 0.1, 0.2, 0.3, 0.4, 0.5, 0.6 and 0.7) were prepared by sol–gel auto-combustion method to study structural and magnetic properties along with antibacterial and antifungal activity. The samples are sintered in air at 400 °C for 4 h. The samples are characterised by x-ray diffraction (XRD), ultraviolet (UV), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), energy dispersive X-ray (EDX), and vibrating-sample magnetometry (VSM) tools. Presence of some secondary phases are noticed in the samples. XRD data is utilised to calculate lattice parameter, crystallite size, lattice strain, and density of ferrite samples. The crystallite size varies between 6.3 and 7.7 nm and lattice strain has value between 0.11–0.15. Also, VSM is used to calculate saturation magnetisation, coercivity and remanent magnetisation of synthesised samples. The saturation magnetisation as high as 32.8 emu g−1 is obtained for x = 0.7 composition. The magnetic Cu x Zn1-x Fe2O4 nanoparticles have shown good antibacterial and antifungal activity.

Antifungal and antibiofilm activities of chromones against nine Candida species.

Candida species are the most common cause of fungal infections, and thus the emergence of antifungal-resistant species and biofilm formation by Candida further threatens the limited availability of antifungal agents. We investigated the antifungal and antibiofilm activities of 27 chromones against nine Candida species, including Candida albicans, Candida glabrata, Candida parapsilosis, and Candida auris. Four chromone-3-carbonitriles exhibited good antifungal activity with minimum inhibitory concentrations from 5 to 50 µg/mL and significantly inhibited biofilm formation by C. albicans. Furthermore, these four chromone-3-carbonitriles markedly inhibited cell aggregation and hypha formation, which are virulence factors and prerequisites for C. albicans biofilm formation. Transcriptomic analyses showed that the most active 6-bromochromone-3-carbonitrile downregulated the expressions of hypha-forming and biofilm-related genes (TEC1 and UME6) but upregulated the hyphal regulator UCF1. Toxicity assays conducted using plant and nematode models showed that the four chromone-3-carbonitriles were non-to-mildly toxic. This study suggests that chromones bearing the 3-carbonitrile motif should be considered potential antifungal agents against Candida species.IMPORTANCEThe persistence of Candida infections is due to its ability to form biofilms that enable it to resist antifungals and host immune systems. Hence, inhibitions of the biofilm formation and virulence characteristics of Candida sp. provide potential means of addressing these infections. Among various chromone derivatives tested, four chromone-3-carbonitriles showed antifungal, antibiofilm, and antivirulence activities against several Candida species. Their mode of action has been partially revealed, and their toxicity is reported here using nematode and plant models.

Bioactive molecular family construction: Design, optimization and antifungal mechanism study of novel 2-phenylglycine derivatives

With the widespread use of fungicides, some problems have also gradually emerged, such as resistance, toxicity and residues. Therefore, to develop novel antifungal pesticides with unique structures, safety and high efficiency, a series of 2-phenylglycine derivatives were designed and synthesized. The bioactivity results revealed good antifungal activity of compound III11 and boscalid against Nigrospora oryzae, and they both effectively inhibited spore germination with EC50 values of 17.3 and 3.1 μg/mL, respectively. An antifungal mechanism study showed that both III11 and boscalid significantly increased the content of nucleic acids, proteins and MDA, which indicated that they could destroy the integrity of the mycelial cell membrane, thus affecting the normal growth of mycelia. Molecular docking results revealed that III11 bound with some amino acid residues (SER-39, ARG-14 and ARG-43) of succinate dehydrogenase (SDH) through a unique mode involving hydrogen bonds, different from the binding mode of boscalid. Further investigation demonstrated that III11 exhibited moderate inhibitory activity against SDH (IC50 = 54.5 μg/mL), weaker than that of boscalid (IC50 = 10.7 μg/mL). The results provided sufficient support for the optimization and derivatization of 2-phenylglycine derivatives, which could be further developed and designed as potential fungicides.

Antimicrobial and anti-aflatoxigenic activities of nanoemulsions based on Achillea millefolium and Crocus sativus flower extracts as green promising agents for food preservatives

BackgroundAlthough the mechanism of action of nanoemulsion is still unclear, the modern use of nanoemulsions made from natural extracts as antimicrobial and anti-aflatoxigenic agents represents a potential food preservation and a safety target.MethodsTwo natural nanoemulsion extracts of Crocus sativus (the saffron flower) and Achillea millefolium (the yarrow flower) were produced in the current study using a low-energy method that included carboxymethylcellulose and Arabic gum. The synthesized nanoemulsion was fully identified by different analytical methods. Detection of the volatile content was completed using GC-MS analysis. The antioxidant potential, and phenolic compounds content were analyzed in the extractions. The synthesized nanoemulsions were screened for their antimicrobial potential in addition to their anti-aflatoxigenic activity.ResultsThe droplet size of Saffron flowers was finer (121.64 ± 2.18 nm) than yarrow flowers (151.21 ± 1.12 nm). The Zeta potential measurements of the yarrow flower (-16.31 ± 2.54 mV) and the saffron flower (-18.55 ± 2.31 mV) both showed high stability, along with low PDI values (0.34–0.41). The nanoemulsion of yarrow flower revealed 51 compounds using gas chromatography-mass spectrometry (GCMS), with hexanal (16.25%), β-Pinene (7.41%), β-Myrcene (5.24%), D-Limonene (5.58%) and Caryophyllene (4.38%) being the most prevalent. Additionally, 31 compounds were detected in the saffron nanoemulsion, with D-limonene (4.89%), isophorone (12.29%), 4-oxy isophorone (8.19%), and safranal (44.84%) being the most abundant. Compared to the nanoemulsion of the yarrow flower, the saffron nanoemulsion had good antibacterial and antifungal activity. Saffron nanoemulsion inhibited total fungal growth by 69.64–71.90% in a simulated liquid medium and demonstrated the most significant decrease in aflatoxin production. Infected strawberry fruits coated with nanoemulsion extracts exhibited high antimicrobial activity in the form of saffron flower and yarrow flower extract nanoemulsions, which inhibited and/or controlled the growth of Aspergillus fungi. Due to this inhibition, the lag phase was noticeably prolonged, the cell load decreased, and the stability time increased.ConclusionThis study will contribute to expanding the theoretical research and utilization of nanoemulsions as green protective agents in agricultural and food industries for a promising protection from the invasion of some pathogenic bacteria and fungi.

Exploring the efficacy of carvacrol as a biocontrol agent against pear Valsa canker

Valsa canker, a fungal disease caused by Valsa pyri, poses a significant threat to the pear industry. Currently, chemical control serves as the primary method to control valsa canker. However, the emergence of resistance can pose a challenge to its effectiveness. Biopesticides are a relatively new option for disease control, but there is limited research on their effects on pear Valsa canker. To determine the effectiveness of different biopesticides, we selected 10 common biopesticides to test their inhibition efficacy and impacts on mycelial growth rate and conidial germination. Results showed that carvacrol had very good antifungal activity; therefore its inhibition mechanisms were further investigated. Electron microscopy and transcriptome data analysis were utilized to examine how carvacrol impeded V. pyri by inducing mycelium deformation, wrinkling, and rupture. Carvacrol also affected plant hormones, thus improving plant resistance to the disease. This study lays the groundwork for the utilization of 10 distinct biopesticides to control V. pyri while elucidating how carvacrol harms the pathogen and prompts the plant defense control mechanism.

Synthesis and Antifungal Evaluation of New Azole Derivatives against Candida albicans.

In this study, we designed and prepared a series of new azole derivatives by recombination of fluconazole (FLC) and ketoconazole units, and in vitro antifungal activities against Candida albicans were evaluated. The results indicated that most azoles showed good antifungal activity against the drug-sensitive C. albicans strain, especially compounds 6a, 6e, 6n, 6p, 6r, 6s, 6t, and 6v, which displayed better antifungal activity (MIC50 < 1.0 μg/mL) than FLC against SC5314. The further mechanism study showed that compound 6r could significantly inhibit the formation of C. albicans biofilm, increase the permeability of the cell membrane, reduce the ergosterol level of the cell membrane, damage the membrane structure, and destroy the integrity of the cell structure to exert excellent antifungal activity. Subsequently, a molecular docking study indicated that azole compounds could inhibit cytochrome P450 14α-demethylase (CYP51). Therefore, these azole derivatives can be considered as potent antifungal drugs to treat fungal infections.

Development of Antimicrobial and Antistatic Textile for Industrial Air Management Systems

Abstract Textile air management systems are used in modern buildings to improve overall indoor air quality. During use and storage, industrial textiles are negatively affected by microbes. Adding biocide to synthetic fibres can control the detrimental effects of antimicrobial finishing on textiles. Antimicrobial textiles have seen a rapid increase in demand due to consumers’ concern over hygiene and active lifestyles as well as with the aim to improve overall functionality. An antimicrobial treatment with a long lifespan, that is, resistant to washing, is presented in this paper. A new commercial antimicrobial product named Si Bac-Pure was used in woven polyester fabrics to treat them against bacteria. The antimicrobial activity was measured after twenty washing and drying cycles. Good antimicrobial and antifungal activity is produced in treated fabrics after treatment with the stated finishing agents. The antimicrobial treatment has significant antistatic properties that are important for industrial air management systems.

Antifungal activity test of nanosilver combination with lip balm cosmetic preparation

Nanosilveris is a silver-based material with nanometer particle sizes (1-100 nm) predicted to be antifungal or an alternative to preservatives in lip balm preparations that are biocompatible. The nanosilver synthesis process in this study used the bottom-up method by adding sodium citrate as a reducing agent and stabilizer. This study aimed to determine the characteristics of the results of 20 ppm nanosilver synthesis using a UV-Vis and TEM spectrophotometer and to determine the antifungal activity of nanosilver in lip balm cosmetic preparations. Variations in adding 20 ppm nanosilver into lip balm preparations are 5%, 10%, and 15%. The results of characterization using a UV-Vis spectrophotometer, namely 20 ppm nanosilver, were quite stable in storage for 2 months, and the results of characterization using TEM also showed that the formed nanosilver remained stable with a nanometer size range ranging from 11.42 nm to 43.95 nm. The antifungal activity test was carried out using the Direct Microscopic Count (DMC) method by counting directly under a microscope. Based on the data obtained, it shows that the antifungal activity of the combination of nanosilver and lip balm preparations is almost equivalent to the antifungal activity of parabens. It has produced lip balm preparations with nanosilver. This is indicated by the value of the inhibition rate (%). The inhibition of fungal growth produced by lip balm preparations with parabens is almost the same as the inhibition rate (%) produced by lip balm preparations with nanosilver. The inhibition rate of lip balm preparations with parabens was 89.11%. In comparison, the inhibition rate of lip balm preparations with a nanosilver concentration of 15% was 82.31%, so it can be concluded that nanosilver has good antifungal activity and is biocompatible so that nanosilver can be used as an alternative to paraben preservatives.

Chitosan-based films blended with moringa leaves and MgO nanoparticles for application in active food packaging

This study aims to address the issue of environmental pollution caused by non-biodegradable petroleum-based food packaging by exploring the application of biodegradable films. Film casting was employed to fabricate food packaging films from chitosan (CS) and polyvinyl alcohol (PVA) polymers blended with moringa extract (MoE) and various concentrations of magnesium oxide nanoparticles (MgO NPs). The films were characterized through multiple techniques, including UV spectroscopy, Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC), Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDX), X-ray Diffraction (XRD), and Fourier-transform Infrared Spectroscopy (FTIR). The study investigated the physicomechanical properties, water solubility, water vapor transmission rate, oxygen permeability, migration test, biodegradability, contact angle, anti-fogging, antibacterial and antifungal activity, and application of the films for food packaging. The results showed that blending CS/PVA films with MoE and MgO NPs significantly improved their mechanical properties. The highest tensile strength of 98 MPa was observed in the CPMMgO-0.5 film. The solubility of the films was low, with CPMMgO-0 and CPMMgO-0.25 demonstrating the lowest solubility as weight decreased by 3.41 % and 3.47 %, respectively. The water vapor transmission rate and oxygen permeability decreased with increasing MgO NP concentrations, with the CPMMgO-0.5 film exhibiting the lowest values. The films also demonstrated good biodegradability, anti-fogging ability, antibacterial and antifungal activity, and low water solubility, enabling bead encapsulation over 14 days in good condition. Moreover, the thermal stability of the films was improved, extending the shelf life of bread. Therefore, the fabricated films provide a promising alternative to non-degradable plastic packaging, which heavily contributes to environmental pollution.

Extractives from Artemisia afra with Anti-Bacterial and Anti-Fungal Properties.

Secondary metabolites were isolated using chromatographic techniques after being extracted sequentially from the roots of Artemisia afra using organic solvents such as ethanol, ethyl acetate, dichloromethane, and n-hexane. The isolated compounds were evaluated for anti-fungal, anti-bacterial, and cytotoxicity activities. Spectroscopic techniques, including Nuclear Magnetic Resonance (NMR), Fourier transform infrared (FTIR), and liquid chromatography-mass spectrometry (LC-MS), were used to elucidate the structures of the isolated compounds. The phytochemical investigation of A. afra led to the isolation of eight (A-H) compounds which were identified as 3β-taraxerol (A), 3β-taraxerol acetate (B), dodecyl-p-coumarate (C), ferulic acid (D), scopoletin (E), sitosterol-3-O-β-D-glucopyranoside (F), 3,5-di-O-feruloylquinic acid (G) and Isofraxidin-7-O-β-D-glucopyranoside (H) based on spectroscopic data. Compounds A, B, C, F, G, and H are known but were isolated for the first time from the roots of A. afra. The isolated compounds and extracts from A. afra exhibited good anti-fungal and anti-bacterial activity with dichloromethane and ethyl acetate crude extracts (0.078 mg/mL) and compound E (62.5 µg/mL) showed good activities against Escherichia coli. Compounds C and F also showed good activity against Enterococcus faecalis with minimum inhibitory concentration (MIC) values of 62.5 and 31.25 µg/mL, respectively. Extracts and compounds (A-H) exhibited anti-fungal and anti-bacterial properties and showed no toxicity when tested on Vero monkey kidney (Vero) cells.

Novel cobalt(II) complex of a new 24-membered macrocyclic bis-Schiff base bearing 3-mercapto-1,2,4-triazole: Synthesis, characterization, thermal and biological investigations

The synthesis of a new 24-membered macrocyclic bis-Schiff base, L1, and its corresponding binuclear cobalt(II) complex, [Co2(L1)2(Cl)4], 1, is reported. Compound L1 and complex 1 have been characterized by elemental analysis, FT-IR, 1H NMR, and UV-VIS spectroscopy as well as mass spectrometry. Furthermore, the molecular structures of the synthesized compounds were determined using single crystal X-ray diffraction analysis. The crystal structure of the binuclear cobalt(II) complex, 1, revealed that each ligand acts as a bidentate chelating one and links the metal ions through endocyclic nitrogen atoms of its 1,2,4-triazole moieties. The determined molecular structure as well as the UV-Vis studies indicated a tetrahedral geometry for complex 1. Moreover, the thermal stability of complex 1 has been investigated via thermogravimetric analysis (TGA). The product of pyrolysis of complex 1 was characterized as highly pure nano-scaled Co3O4 (mean crystallite size: 57 nm) by using a series of techniques including powder X-ray diffraction (P-XRD) and energy-dispersive X-ray spectroscopy (EDX). The biological activities of L1 and complex 1, including antibacterial and antifungal activities were evaluated. The antibacterial activity was tested against Gram-negative (Escherichia coli, E. coli ATCC 29232) and Gram-positive (Staphylococcus aureus, S. aureus ATCC 25922) organisms. Also, the pathogenic fungi Candida albicans (C. albicans, ATCC 10231) and Saccharomyces cerevisiae (S. cerevisiae, BY 4741) were used for antifungal tests. The synthesized cobalt(II) complex displayed moderate to good antifungal activity.

Synthesis, X-ray Structure, Hirshfeld Surface Analysis and Antimicrobial Assessment of Tetranuclear s-Triazine Hydrazine Schiff Base Ligand

The unexpected tetranuclear [Cu4(DPPT)2Cl6] complex was obtained by self-assembly of CuCl2.2H2O and (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine, (HDPPT) in ethanol. In this tetranuclear [Cu4(DPPT)2Cl6] complex, the organic ligand acts as mononegative chelate bridging two crystallographically independent Cu(II) sites. The DPPT− anion acts as a bidentate ligand with respect to Cu(1), while it is a tridentate for Cu(2). The Cu(1)N2Cl3 and Cu(2)N3Cl spheres have square pyramidal and square planar coordination geometries with some distortion, respectively. Two of the chloride ions coordinating the Cu(1) are bridging between two crystallographically related Cu(1) sites connecting two [Cu2(DPPT)Cl3] units together, leading to the tetranuclear formula [Cu4(DPPT)2Cl6]. The packing of the [Cu4(DPPT)2Cl6] complex is dominated by C-H…Cl contacts, leading to one-dimensional hydrogen-bond polymeric structure. According to Hirshfeld surface analysis of molecular packing, the non-covalent interactions H…H, Cl…H, Cl…C, C…H, and N…H are the most significant. Their percentages are 52.8, 19.0, 3.2, 7.7, and 9.7%, respectively. Antimicrobial assessment showed good antifungal activity of the Cu(II) complex against A. fumigatus and C. albicans compared to Ketoconazole as positive control. Moreover, the [Cu4(DPPT)2Cl6] complex has higher activity against Gram-positive bacteria than Gentamycin as positive control. The opposite was observed when testing the tetranuclear [Cu4(DPPT)2Cl6] complex against the Gram-negative bacteria.

Design, docking, molecular dynamics, synthesis and antimicrobial studies on quinoline derivatives and some isosteres

The computer added design, synthesis, antibacterial and antifungal activities of a series of quinoline derivatives and some isosteres are reported. In silico studies using autodock software have shown that all compounds exhibited excellent interaction within active site of peptide deformylase (PDF) protein (PDB ID: 1G2A) and formed hydrogen bonds with Gly43, Arg97, Glu133, Ile44, Gly45, Cys90, Gly42, His132, Ile93 amino acid residues of PDF protein. Antibacterial screening showed a great extent of inhibitory activity of compound 2 (MIC, up to 3.12 µg/mL) and compound 6 (MIC, up to1.56 µg/mL) against different human pathogenic bacteria, viz. B. cerus, S. aureus, E. coli and P. aeruginosa vis-à-vis reference drugs like chloramphenicol, sulfamethoxazole and ciprofloxacin. Further, combinatorial antibacterial screening with reference drugs using different methods revealed that the combined MICs of compounds were lowered by 1/2 to 1/34 of their original MICs. Antifungal screening indicated that compounds were also potentially active against several species of pathogenic fungal strains, viz. A. flavus, A. niger, F. oxysporum and C. albicans. Compound 1 showed good antifungal activity against A. flavus and F. oxysporium with inhibitory index 92% and 91%, respectively. Additionally, the molecular dynamics (MD) simulation, performed on compounds 2 and 6, showed that both the compounds formed very stable complexes with PDF protein. The study suggested that the compounds 1, 2 and 6 could be developed as potential ingredients of possible effective drug regimens.