Synthesis, structural characterization, thermal analysis, DFT, biocidal evaluation and molecular docking studies of amide-based Co(II) complexes

ABSTRACT: Medicinal Plants have been used throughout the world by human beings as a drug and remedies for various diseases since time immemorial. A study was planned to count into the antimicrobial activity and phytochemical screening of Euphorbia helioscopia. The plants were gathered and tested against some standard strains and some human pathogenic microorganisms i.e Escherichia coli, Bacillus Subtilis, Staphylococcus aureus, Klebsiella pneumoniae, Salmonella typhi, Pseudomonas aeruginosa and three fungal strain Trichoderma, R hizopus nigricans, Aspergillus niger. The concentrations of extracting samples (500 and 1,000 mg mL-1) were used against pathogens. Ciprofloxacin was used as positive control in case of bacterial strains and Colfrimazol was used against the fungal strain while dimethyl sulfoxide as negative control. The outcomes indicated that the positive wells potency of Water extract had a 36 mm diameter of zone of inhibition against Escherichia coli and ethanol extract at 1,000 mg mL-1 had maximum (34 mm) zone of inhibition against Bacillus subtilus (36 mm) zone of inhibition against Klebsiella pneumonia and 33 mm of zone of inhibition against Trichoderma harzianum. Likewise, water extract at a concentration of 1,000 mg mL-1 resulted highest value of zone of inhibition (36 mm) against Staphylococcus aureus, a zone of inhibition ( mm) against Salmonella typhi, 36 mm zone of inhibition against Pseudomonas aeruginosa, (32 mm) zone of inhibition against Rhizopus nigricans, a 34 mm zone of inhibition against Acremonium and (34 mm) zone of inhibition against Aspergillus niger. The most susceptible bacteria were K. pneumonia and Bacillus subtilis, while E. coli was the most resistant bacteria and showed zone of inhibition. The ethanolic extract had tannins, lipid, total proteins, carbohydrates, flavonoids, Alkaloid and polyphenolics.

In the present study, the prevalence of pathogenic bacteria from poultry environment was investigated. Potentially pathogenic organisms were isolated and identified notably; Salmonella enteritidis, Shigella sp., Clostridium perfringens, Pseudomonas sp., E. coli, Staphylococcus aureus, Vibrio cholerae and Vibrio parahemolyticus. The susceptibility of the isolates to different antibiotics was tested and it was observed that Pseudomonas sp. was very sensitive to the antibiotics, Ceporex (10µg) and Tarivd (10µg) with 16mm zone of inhibition. Clostridium sp. was more susceptible to Levofloxacin (20µg) with 20 mm zone of inhibition, Staph. aureus was more susceptible to Streptomycin (30µg) and Levoflaxacin (20µg) with 18mm zone of inhibition, E. coli was more susceptible to Gentamycin (10µg) with 20mm zone of inhibition, Salmonella enteritidis was more sensitive to Augmentin (30µg) with 20mm zone of inhibition and Shigella sp. was more sensitive to Ciproflox (10µg) with 20mm zone of inhibition. The pathogenicity of these isolates was studied by infecting each on mice. There was death of two mice infected with Clostridium perfringens. Mice infected with Shigella sp., suffered swollen of the scrotum and scrotal sac which was observed after dissection. Mice infected with Pseudomonas sp., Staphylococcus aureus, and Salmonella enteritidis and E. coli, 25x108, 8x108, 20x108, 10x108 cfu/ml of the infected organisms were recovered from their intestine respectively. It seems that the organisms colonized their intestine at high level and they shed them in their faeces, though the infections were asymptomatic at the stage.

Background: Musa sapientum is a useful medicinal plant from the Musaceae family. Copper nanoparticles with a high surface to volume ratio can also be used as antifungal and antibacterial agents. The aim of the study is to access the antimicrobial activity of musa sapientum mediated copper nanoparticle against oral pathogens
 Materials and Methods: Plant extract was prepared by 1g of musa, was weighed aseptically and then dissolved in 100 ml of distilled water. Then the solution is boiled for about 5 minutes at a temperature of about 60-80 degree Celsius and then allowed to cool down followed by filtration of extract. The copper solution was prepared by dissolving 20 millimolar of copper sulphate in 80 ml of distilled water followed by 20 ml of plant extract and then the mixture is placed in the shaker for the synthesis and then allowed to mix for about 1 hour then the first reading was taken using UV spectrum and noted down. Antimicrobial activity was done against the strain of S. aureus, S. mutans, E. faecalis. Muller Hinton agar was utilised for this activity to determine the zone of inhibition different concentrations were loaded in the plates and incubated for 24 hrs 37 degree celsius after the incubation time the zone of inhibition was measured. Antifungal activity of zinc oxide nanoparticles was done against the strain Candida Albicans.
 Results: For the study, descriptive statistics was used. For 100 μL concentration 11 mm zone of inhibition was seen when compared to the standard drug Amoxyrite which had a zone of inhibition of 36mm, which means that the antimicrobial activity was low in case of E. Faecalis. In C. Albicans, at 100μL concentration 14mm zone of inhibition was seen, but the standard fluconazole had only a zone of inhibition of 10mm, which means antimicrobial activity was good in case of C. albicans which showed more zone of inhibition. For S. aureus, at 100μL 13mm zone of inhibition was seen, the standard value showed 28mm zone of inhibition which means there is less zone of inhibition when compared to standard drug. For S. mutans, at 100μL concentration 18mm zone of inhibition was seen and when compared to the standard value which was 23mm which showed poor antimicrobial activity.
 Conclusion: The research concludes that musa sapientum mediated copper nanoparticles showed a moderate antimicrobial activity against the pathogens Streptococcus mutans, Staphylococcus aureus, Enterococcus faecalis and Candida albicans.

Unveiling the cyclopropyl appended acyl thiourea derivatives as antimicrobial, α-amylase and proteinase K inhibitors: Design, synthesis, biological evaluation, molecular docking, DFT and ADMET studies.

Antibiotic resistance has become a global concern and hence, the search for other source of antimicrobials initiated to find a way to control infections in future. The main objective of this paper is to screen Giloy (Tinospora cordifolia) for its antibacterial activity. The stem of Tinospora cordifolia is used to prepare extract for determining it’s in vitro antibacterial activity as per the agar well diffusion method. In the agar well diffusion method 100μl of 24 hr broth culture of bacteria was aseptically and evenly swabbed on Mueller Hinton agar plates. Wells of about 8 mm diameter were aseptically cut using sterile cork-borer. 100 μl of plant extracts of different concentrations were then placed into the separate wells. The plates were incubated at 37 oC for 24hr. Antimicrobial activity of the giloy was determined by measuring the diameter of zone of inhibition. The methanolic extract of Tinospora cordifolia showed 13, 11, 9 and 5 mm zone of inhibition in S. aureus cultures by using 100, 75, 50 and 25 mg/ml concentration, respectively while hot water extract of Tinospora cordifolia showed 14, 12, 10 and 8 mm zone of inhibition for S. aureus by using 100, 75, 50 and 25 mg/ml concentration, respectively and the cold extract of Tinospora cordifolia showed 10, 8, 5 and 0 mm zone of inhibition for S. aureus by using 100, 75, 50 and 25mg/ml concentration, respectively. The methanolic extract of Tinospora cordifolia indicated 12, 10, 6 and 4 mm zone of inhibition in cultures of E.coli by using 100, 75, 50 and 25 mg/ml concentration, respectively and the hot water extract of Tinospora cordifolia showed 16, 14, 12 and 10 mm zone of inhibition in cultures of E.coli by using 100, 75, 50 and 25mg/ml concentration, respectively. The cold water extract of Tinospora cordifolia showed 13, 10, 8, and 5 mm zone of inhibition in cultures of E.coli by using 100, 75, 50 and 25 mg/ml concentration, respectively. It has been observed that Tinospora cordifolia showed very promising results as indicated by the zone of inhibition of bacterial culture through agar well diffusion method that varies from few mm to few cm. This study indicates the in-vitro antibacterial effect of Giloy which needs further validation through in-vivo studies.

The antifungal activity of aqueous and organic(acetone and methanol) leaf extracts of Anastatica hierochuntica was evaluated a gainst some common pathogenic fungi using the paper disc diffusion method .ALL the extracts were active against the test organisms with the methanol extracts showing the highest activity against candida albicans (28 mm zone of inhibition ), Cryptococcus neoformans(24 mm zone of inhibition ) ,fusarium oxysporum and penicillium digitatam ( 18 mm zone of inhibition ), followed by the acetone extracts against penicillium digitatam ( 16 mm zone of inhibition ), at 250 mg /ml . the aqueous extracts demonstrated the lowest activity (8 mm zone of inhibition ),against penicillium digitatam and (6 mm zone of in hibition) against Aspergillus niger at 250 mg /ml .preliminary phytochemical studies revealed that the leaves contained Hydrocarbonate, glocoberin ,Aminoacid ,glycoside ,Asteroids ,carbohydrate ,flavonoid (one structure: isovitexin and four structures flavonoloids, campferol ,Raminoglocozid ,Rutin ,Qurcetn ) ,Alkaloids, tannins.The activity of the extracts was stable at high temperatures and at acidic PH ,but decreased at alkaline PH .the minimum Inhibitory concentration ( MIC) and the minimum fungicidal concentration ( MFC) of the extracts ranged between 12.5- 150 mg /ml .the plant contain chemicals substances that can be used in the formulation of very potent antifungal agents that can be used for the treatment of Mycotic infections.

Synergistic antimicrobial action of nanocellulose, nanoselenium, and nanocomposite against pathogenic microorganisms

In the present manuscript, novel macrocyclic Schiff base complexes [Zn(N4MacL1)Cl2-Zn(N4MacL3)Cl2] were synthesized by the reaction of ZnCl2 and macrocyclic ligands (N4MacL1-N4MacL3) derived from diketone and diamines under microwave irradiation method and conventional method. The structures of the obtained complexes were identified by various spectrometric methods such as Fourier transformation infra-red (FT-IR), nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HR-MS), powder X-ray diffraction, molar conductivity, and UV-vis. The structures of the synthesized compounds were optimized by using the def2-TZV/J and def2-SVP/J Coulomb fitting basis sets at B3LYP level in density functional theory (DFT) calculations. The macrocyclic Schiff base complexes exhibited higher activities against Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus), Gram-negative bacteria (Escherichia coli and Xanthomonas campestris), and fungal strains (Fusarium oxysporum and Candida albicans) in comparison to macrocyclic Schiff base ligands. Furthermore, the newly synthesized macrocyclic compounds were assessed for their anticancer activity against three cell lines: A549 (human alveolar adenocarcinoma epithelial cell line), HT-29 (human colorectal adenocarcinoma cell line), and MCF-7 (human breast adenocarcinoma cell line) using the MTT assay. The obtained results showed that the macrocyclic complex [Zn(N4MacL3)Cl2] displayed the highest cytotoxic activity (2.23 ± 0.25µM, 6.53 ± 0.28µM, and 7.40 ± 0.45µM for A549, HT-29, and MCF-7 cancer cell lines, respectively). Additionally, molecular docking investigations were conducted to elucidate potential molecular interactions between the synthesized macrocyclic compounds and target proteins. The results revealed a consistent agreement between the docking calculations and the experimental data.

The present study reports synthesis of silver nano-antibiotics from aqueous extract of H. dissectum. The nano-antibiotics were characterized using UV–visible spectra which displayed maximum absorbance at 430 nm. The role of phytocomponents as reducing agent and stabilization of silver nano-antibiotics was depicted with Fourier-transform infrared spectroscopy which revealed presence of hydroxyl and carboxyl groups associated with silver nano-antibiotics. The crystalline nature was studied with X-ray diffraction which showed Bragg’s intensities at 2θ angle which denoted (101), (111), (200), (220), (311) planes. The morphological characteristics were studied using Transmission Electron Microscopy to reveal the size ranging from 5 to 50 nm. The bactericidal activity of nano-antibiotics was studied via well diffusion and minimal inhibitory concentration assay against members of drug-resistant communities bearing resistant to more than ten standard antibiotics. Nano-antibiotics displayed highest activity against Ps. aeruginosa strain 55 and Methicillin-resistant Staphylococcus aureus with 16 mm zone of inhibition followed by Kl. pneumoniae strain 104 and E. coli strain 55. Moderate activity was observed against Ac. baumannii strains with 12 mm zone of inhibition. The obtained results envision the role of plant mediated nano-antibiotics as one of the best suited alternatives towards combating drug resistant pathogens.

The condensation reaction between 5‐amino‐1,3,4‐thiadiazole‐2‐thiol and 1,2‐dibromoethane to afford the ligand L was carried out in direct to obtain the desired organic ligand. New [Er(L)ClH2O]Cl2·3H2O, [Yb(L)(H2O)2]Cl3·4H2O, and [Ta(L)Cl2]Cl3·4H2O complexes have been prepared from (L) by reacting one mole from metal ions with one mole from L. In addition to their physical characteristics, they were described using spectroscopic techniques (infrared [IR], nuclear magnetic resonance [NMR], and UV–Vis), gas chromatography (GC)‐mass, and X‐ray powder diffraction. Further interpretation of complex structures was supported by measurements of molar conductivity, magnetic susceptibility, mole ratio, and thermodynamic investigations in addition to theoretical study through the use of density functional theory and characterization techniques. IR spectral data showed the mode of action of the neutral tetradentate L ligand and its coordination via two N‐amine and two S‐thiols. The octahedral geometry surrounding the central lanthanide ions was suggested by the magnetic moments, diffused reflectance, and spectral data. Molar conductivity results exposed that Yb(III) and Ta(V) chelates were 1:3 electrolytes and Er(III) chelate was 1:2 electrolyte. In addition, practically all the complexes demonstrated effective antimicrobial activity against Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus species, via inhibition zone diameters in 9–15 mm mg−1 range. However, neither Candida albicans nor Aspergillus flavus species were susceptible to their antifungal effects. Finally, molecular docking (MOE) experiments showed the significant binding affinity of the ligand and its complexes with several 6KOC, 6LU4, and 6LU4 protein receptors. Finally, it is important to emphasize that these complexes may be potential antioxidant agents according to the biochemical results. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PP) methods were accustomed to examine the corrosion inhibition of aluminum silicon alloys (AlSi) in 1 M HCl solution. Experimental measurements indicate that the thiadiazole ligand reduces the corrosion rate.

Background: arthropods have been utilized for their socio-economic value as food and medicine for decades in most part of the world. Many traditional healers use insects in their traditional medicine healing system. The idea of utilizing substances collected from insects as medicinal resources, might have originated from the chemical compounds (such as pheromones, venoms, and toxins) sequestered from plants that have shown medicinal value. The study was targeted at investigating the antimicrobial potential of termite and bee natural products on Escherichia coli for possible medicinal purpose. The insects were collected from farmlands (using different insect traps) within Agulu and Nanka communities, Anambra State, Nigeria. The sample was identified and authenticated at the Zoology Department. The insect were killed using killing jar technique, air dried, pulverized and macerated for further investigation. The zoochemical properties and antimicrobial activity of the extract was investigated. Results: It was observed that the constituents, carbohydrate and saponins were present in all the extracts. Tannins, Flavonoids and Terpenoids were present in the ethanol extracts of both insects. The other zoochemicals investigated: Anthraquinones. Alkaloids, Cardiac glycoside, and steroids were not observed in all of the extracts. The water extract of both bee and termite exhibited less activity against E. coli. The ethanol extract of both insects showed E. coli growth inhibition. Based on the distinct zones of inhibition observed. The ethanol extract of termite showed higher inhibition activity (8.33 ± 0.60 mm zone of inhibition), this was followed by the ethanol extract of bee (7.08 ± 1.18 mm zone of inhibition). The aqueous (water) extract of termite (1.33 ± 0.67 mm zone of inhibition) showed higher activity than that of the bee extract (1.00 ± 0.58 mm zone of inhibition). Conclusion: The result of the study showed that ethanol extract of termite and bee contain bioactive constituents with antibacterial effect and lends credence to the entomo-ethno medicinal use of insect in the treatment of bacterial infections.

his research investigates the antimicrobial and antioxidant properties of three essential oils (EO): Aegle marmelos, Aristolochia indica, and Piper nigrum roots. The antimicrobial effectiveness of the EOs was demonstrated against four bacteria and a fungus strains. Antimicrobial activity was evaluated by measuring the size of the inhibition zone, as well as determining the minimum inhibitory concentration and minimum bactericidal concentration. Upon analyzing the inhibition zone diameters, we noted an increased effectiveness of A. indica, which displayed the highest values across all microbial species tested. Antifungal activity of essential oil was tested against the selected C. albicans. A. marmelos, A. indica, and P. nigrum essential oils showed 11 mm, 12 mm and 12 mm zone of inhibition against C. albicans. A. indica essential oil showed maximum activity against E. coli (15 mm zone of inhibition) than P. nigrum essential oil (18 mm zone of inhibition), and A. marmelos essential oil (16 mm zone of inhibition). The minimum inhibitory concentration of essential oils were determined against various bacterial pathogens. Essential oil was highly active against Streptococcus sp. and E. coli than K. pneumoniae and S. aureus.

Objective: The aim of this study was to explicate antibacterial, antifungal, and antioxidant activities of Leucas aspera flowers.Methods: Antibacterial activity was done by agar diffusion method. The ethyl acetate extract of L. aspera flower was evaluated against both Gram-positive and Gram-negative bacteria. Antifungal activity was also done by agar diffusion method. The agar used for antifungal activity was Czapek Dox Agar. Nitric oxide scavenging assay and free radical scavenging assay were used for the antioxidant activity. Griess reagent was used in nitric oxide scavenging assay. 1,1-diphenyl-2-picryl hydrazyl was used in free radical scavenging assay.Results: L. aspera flower extract showed good antibacterial activity with the highest zone of inhibition against Vibrio cholera with 23 mm followed by Bacillus polymyxa showing 20 mm zone of inhibition. The ethyl acetate extract of L. aspera flower showed quite a good results with the highest inhibitory activity against Aspergillus niger with 13 mm zone of inhibition and lowest for Trichoderma viridae with 5 mm zone of inhibition. Antioxidant activity of L. aspera flower extract was done by free radical scavenging assay and nitric oxide scavenging assay. Nitric oxide scavenging assay showed prominent results almost performed equal to standard compound Butylated hydroxyl anisole (BHA) The values for 10 μl of L. aspera extract was 50.27, for the standard (BHA) showed 50.81. L. aspera extract values for 50 μl was 69.73 and for BHA, the values was 77.30. For 100 μl, the extract gave 82.70, and for standard BHA, the reading was 89.73.Conclusion: The results showed that L. aspera flower has broad-spectrum antibacterial activity ranging from 23 to 13 mm zone of inhibition. L. aspera flower has strong antioxidative power on nitric oxide radicals. The medicinal properties of plant species have made an outstanding contribution to the origin and evolution of many traditional herbal therapies.

In this study, bacterial cellulose was produced through the fermentation of a mixture of black tea, ginger, and sugar, and used to create bio-textile films on sugarcane-based media. Characterization included ribosomal RNA gene sequencing, FTIR spectroscopy, XRD, and SEM was used to examine surface morphology. The bio-textile films showed increasing UV resistance beyond 10 days of cultivation (T.UVA%; 0.13 ± 0.02, T.UVB%; 0.22 ± 0.01, UPF; 629 ± 2.12) and antimicrobial resistance was assessed by quantifying Colony-Forming Units (CFU), resulting in a 100% reduction in growth for both Escherichia coli and Staphylococcus aureus. Subsequently, after 15 days of cultivation, antimicrobial activity was evaluated using the disc agar diffusion method, yielding noteworthy outcomes. E. coli displayed a 25 mm zone of inhibition, S. aureus exhibited a 31 mm zone of inhibition, Candida albicans showed a 35 mm zone of inhibition, and Aspergillus niger presented a 22 mm zone of inhibition.

Antibiotics are used in healthcare as for prophylaxis and have therapeutic value against drug-resistant bacteria. The main aim of the study was to analyze the potential of neem leaf extract against pathogenic bacteria. The leaves were dried and phytochemicals were extracted with methanol, ethyl acetate, chloroform, and water. The methanol extract showed maximum yield. The total phenolic and flavonoid contents were found to be maximum in methanol extract. The methanol extract showed maximum activity followed by ethyl acetate, chloroform, and water. The methanol extract exhibited maximum activity against Enterobacter aerogenes (18±2 mm zone of inhibition), Salmonella typhimurium (16±1 mm zone of inhibition), Pseudomonas aeruginosa (20±2 mm zone of inhibition), Staphylococcus aureus (12±0 mm zone of inhibition), and Escherichia coli (20±0 mm) (p<0.05). The minimum inhibitory concentration values ranged from 6.25±1.25 to 300±125 µg/ml and methanol extract showed least value against bacteria (p<0.05).