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The sulfonamide Schiff base compound (E)-4-((4-(dimethylamino)benzylidene)amino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide was successfully prepared and fully characterized. The foremost objective of this study was to explore the molecular geometry of the aforementioned compound and determine its drug likeness characteristics, docking ability as an insulysin inhibitor, anticancer and antioxidant activities. The molecular structure of this compound was optimized using the B3LYP/6-311G+(d,p) level of theory. The compound was completely characterized utilizing both experimental and DFT approaches. Molecular electrostatic potential, frontier molecular orbitals, Fukui function, drug likeness, and in silico molecular docking analyses of this compound were performed. Wave functional properties such as localized orbital locator, electron localization function and non-covalent interactions were also simulated. The compound was screened for anticancer and antioxidant activities using in vitro technique. The observed FT-IR, UV-Vis, and 1H NMR results compared with simulated data and both results were fairly consistent. The experimental and computational spectral findings confirm the formation of the Schiff base compound. Both π-π* and n-π* transitions were observed in both experimental and computational UV-Vis spectra. The examined compound followed to Pfizer, Golden Triangle, GSK, and Lipinski's rules. Consequently, it possesses a more favorable absorption, distribution, metabolism, excretion, and toxicity (ADMET) profile, making it a suitable candidate for non-toxic oral drug use. Moreover, the compound exhibited promising insulysin inhibition activity in an in silico molecular docking. The compound showed in vitro anticancer activity against A549 cancer cells with an IC50 value of 40.89 µg/mL and moderate antioxidant activity.
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In this study, we have introduced a method for the synthesis of various metal-doped nano-crystalline hydroxyapatites (HAp) using a standard wet chemical precipitation technique. Both divalent (Ni and Zn) and trivalent (Al and Fe) metals were selected for the doping process. Additional research work was also conducted to assess the antimicrobial efficacy of these doped-HAps against a range of gram-positive and gram-negative microorganisms. All the synthesized metal-doped hydroxyapatite (HAp) exhibited notable antibacterial characteristics against gram-negative bacterial strains, namely Escherichia coli (E. coli) and Salmonella typhi (S. typhi), outperforming the pure HAp. The inhibition zone observed for the metal-doped HAp ranged from 14 to 16 mm. The Fe ion displayed a notable inhibitory zone measuring 16 mm, proving to be the most expansive among all tested ions against both E. coli and S. typhi bacterial strains. The Zn-HAp exhibited a comparable inhibitory zone size of 14 mm against both S. typhi and E. coli. Additional characterization methods, such as X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, and Scanning electron microscopy (SEM), were used to validate the structural properties of the synthesized metal-doped hydroxyapatite (HAp) samples. The biocompatibility assessment of metal-doped hydroxyapatite (HAp) samples was carried out by haemolysis tests, which revealed that all synthesized hydroxyapatite (HAp) samples have the potential to serve as reliable biomaterials.
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The integration of bioactive substances with antibiotics has been extensively pursued for the treatment of osteomyelitis. These materials, also known as biomaterials, can serve both as bone replacements and targeted drug delivery systems for antibiotics. In this study, biomimetic nano-hydroxyapatite (nHAp) was synthesized via the coprecipitation technique where waste chicken eggshell (WCE) was employed as the source of Ca. Heat treatment was performed at four different temperatures (100 °C, 300 °C, 600 °C and 900 °C). Subsequently, the samples were characterized using XRD, FTIR spectroscopy, Raman spectroscopy, FESEM, EDX, XPS, DLS hydrodynamic size and zeta potential analysis. Also, their biomedical effectiveness was evaluated in terms of cytotoxicity, hemolysis, antibacterial performance, and bioactivity. Doxycycline hyclate (DOXh) was loaded in the synthesized nHAp samples, and subsequently its in vitro release was studied under stirring in simulated body fluid (SBF). The DOXh release kinetics was evaluated, and it was found that the first-order model was the best fitted kinetic model describing the release of DOXh from the nHAp samples, except for nHAp100, which was best described by the Korsmeyer-Peppas model. The nHAp synthesized utilizing WCE showed excellent potential for biomedical application and can be used as a drug delivery agent for antibiotics, such as DOXh.
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ß-tricalcium phosphate (ß-TCP) was synthesized in an organic medium (acetone) to obtain a single-phase product while calcium carbonate (CaCO3) and ortho-phosphoric acid (H3PO4) were the sources of Ca, and P, respectively. The synthesized ß-TCP was characterized by employing a number of sophisticated techniques vis. XRD, FTIR, FESEM, VSM and UV-Vis-NIR spectrometry. On the other hand, cytotoxicity, hemolysis, and antimicrobial activity for Gram-negative as well as Gram-positive (E. coli and S. aureus) bacteria were explored using this synthesized sample in powder format. However, to assess the drug loading and releasing profile, these powdered samples were first compressed into disks followed by sintering at 900 °C. Prior to loading the drug, porosity, density, and water absorbance characteristics of the scaffolds were examined in deionized water. Both loading and releasing profiles of the antibiotic (ciprofloxacin) were looked over at various selected time intervals which were continued up to 28 days. The observed results revealed that 2.87% of ciprofloxacin was loaded while 37% of this loaded drug was released within the selected time frame as set in this study. The scaffold was also immersed in SBF solution maintaining identical interim periods for the bioactivity evaluation. Furthermore, all three types of samples (e.g. drug-loaded, drug-released, and SBF-soaked) were characterized by FESEM and EDX while antimicrobial activity (against E. coli, S. typhi, and S. aureus) and efficacy to prevent hemolysis were also investigated. The drug-loaded scaffold presented a larger inhibition zone than the standard for all three types of microbes. Although powdered ß-TCP was inactive in killing the Gram-negative bacteria, surprisingly the drug-released scaffold showed an inhibition zone.
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The well-known biomaterial Ca-hydroxyapatite (Hap) in its pristine form holds the top ranking position in the field of biomedical research and extensive investigation is continuing across the globe to enhance its competency. Hence, having the intention to introduce superior physiognomies (e.g. cytotoxicity, haemocompatibility, and bioactivity coupled with antimicrobial and antioxidant activity) in Hap, in this research work, we exposed Hap to 200 kGy γ-radiation. As a result, γ-radiated Hap exhibited extreme antimicrobial (more than 98%) and moderate (â¼34%) antioxidant properties. On the other hand, cytotoxicity and haemocompatibility of γ-radiated Hap were in good agreement with the ISO 10993-5 and ISO 10993-4 standards respectively. Since, bone and joint infections as well as degenerative disorders e.g. osteoarthritis, osteomyelitis, bone injury, and spinal problems have emerged as serious issues and urge a remedial way out, application of γ-radiated Hap could be a promising solution in this regard.
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Studies are being carried out on achieving the maximum quality of garlic through various approaches. In Bangladesh, new garlic varieties (BARI 1-4, BAU-1, BAU-2, BAU-5) have been recently developed by artificial selection to enhance their quality. The present study aimed to evaluate their potency in terms of bioactive properties and organosulfur compounds content using different bioassay and GC-MS techniques while comparing them with other accessible varieties (Chinese, Indian, Local). The new variety, BARI-3 showed the highest antioxidant activity and total phenolic content. It was also found with the highest level of a potent blood pressure-lowering agent, 2-vinyl-4H-1,3-dithiine (78.15 %), which is never reported in any garlic at this percentage. However, the local variety exhibited greater inhibitory properties against the tested organisms including multidrug-resistant pathogens compared to other varieties. This study primarily shows the potential of these two kinds of garlic for their further utilization and development.
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Plaster of Paris, a well-known biomaterial, was synthesized from waste eggshells, which were chosen as an available bio-source of calcium. The produced plaster of Paris was characterized by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Raman spectroscopy, UV-Vis spectroscopy, and SEM images along with a few crystallographic parameters such as crystallite size (Scherrer equation and different model equations), lattice parameters, crystallinity index, the volume of the unit cell, microstrain, dislocation density, growth preference, and residual stress from the XRD-sin2 Ψ technique. The biomedical competency of the prepared plaster of Paris was evaluated utilizing the cytotoxicity, hemolysis, and antimicrobial activity of E. coli and S. aureus. The cytotoxicity assessment has revealed that the percentages of viable cells were 93-98% and a highly hemocompatible nature (<5%) was exerted by the sample. The plaster of Paris only revealed antimicrobial properties against Gram-positive bacteria (S. aureus), and no effect was noticed for Gram-negative bacteria (E. coli).