Qazvin University of Medical Sciences

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    Molecular dynamics simulations, molecular docking, and kinetics study of kaempferol interaction on Jack bean urease: Comparison of extended solvation model

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    Since the urease enzyme creates gastric cancer, peptic ulcer, hepatic coma, and urinary stones in millions of people worldwide, it is essential to find strong inhibitors to help patients. Natural products are well known for their beneficial effects on health and efforts are being made to isolate the ingredients, the so-called flavonoids. Flavonoids are now considered as an indispensable component in a variety of nutraceutical, pharmaceutical, and cosmetic applications. Kaempferol (KPF) is an antioxidant found in many fruits and vegetables. Many reports have explained the significant effects of dietary KPF in reducing the risk of chronic diseases such as cancer, ischemia, stroke, and Parkinson’s. The current study aimed at investigating the inhibitory impact of KPF on Jack bean urease (JBU) using molecular dynamics (MD) simulations and molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) calculations to confirm the results obtained from isothermal titration calorimetry (ITC), extended solvation model, and docking software. In addition, UV–VIS spectrophotometry was used to study the kinetics of urease inhibition. Calorimetric and spectrophotometric determinations of the kinetic parameters of this inhibition indicate the occurrence of a reversible and noncompetitive mode. Also, the docking and MD results indicated that the urease had well adapted to the kaempferol in the binding pocket, thereby forming a stable complex. Kaempferol displayed low binding energy during MMPBSA calculations. The inhibitory potential of kaempferol was confirmed by experimental and simulation data, but in vivo investigations are also recommended to validate our results

    Synthesis and characterization of Antibacterial Polyurethane Rigid Foam Nanocomposites by Incorporation of Tea Tree Oil as a Natural Biocide

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    Synthesis and characterization of novel Tea Tree Oil (TTO) loaded antibacterial polyurethane rigid foam is reported by using two distinct methods. In the first method, the mesoporous silica used as a carrier for TTO and followed by functionalization with 3-aminopropyltriethoxysilane (APTS), for preparing of NH2- MCM-41. In the second method, the fabrication of mesoporous silica nano containers (SiO2NCs) encapsulating TTO was performed by Sol-Gel procedure, which is known to display antibacterial properties. TTO is loaded in the core of the silica Nano containers that are stabilized by surfactants as CoreShell nanoparticles (TTO@NH2-SiO2NCs). Field Emission Scanning Electron Microscopic (FESEM), Transmission Electron Microscopic (TEM), Fourier transform infrared (FTIR), Brunauer-Emmett-Teller (BET), and Thermogravimetric Analysis (TGA) analyses were used to characterize morphological, structural, and thermal properties of the prepared nanoparticles, respectively. The prepared antibacterial polyurethane rigid foams by having 2.5, 5, 7 percentages of the nanoparticles were studied by FESEM, ATRFTIR, TGA and antibacterial performance assay method, respectively. The obtained results from Viable cell count (direct contact) method was exhibited that antibacterial polyurethane rigid foam containing 7% TTO-NH2-MCM-41 has a robust antibacterial activity with >99.9% of the loss of viability for Staphylococcus aureus bacteria

    Activation of apoptosis and G0/G1 cell cycle arrest along with inhibition of melanogenesis by humic acid and fulvic acid: BAX/BCL-2 and Tyr genes expression and evaluation of nanomechanical properties in A375 human melanoma cell line

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    Objective(s): Humic acid (HA) and Fulvic acid (FA) are major members of humic substances, which are extracted from organic sources including soil and peat. The pro-apoptotic and anti-melanogenic effects of HA and FA at the cellular and molecular levels in the A375 human melanoma cell line were examined in this study. Materials and Methods: The cytotoxicity effect of HA and FA were evaluated by cell viability assay. Apoptosis and cell cycle were investigated by flow cytometry. Real-time PCR was carried out to measure the expression of BAX, BCL-2, and Tyr genes. Moreover, the changes in nanomechanical properties were determined through atomic force microscopy (AFM). Results: It was found that HA and FA decrease cell viability with an IC50 value of 50 µg/ml (dosedependent) for 14 hr, arrested cells in the G0/G1 phase, and increased the sub-G1 phase (induce apoptosis). Based on the AFM analysis, Young’s modulus and adhesion force values were increased, also ultrastructural characteristics of cells were changed. Results of Real-time PCR revealed that HA and FA lead to a decrease in the expressions of BCL-2 and Tyr genes, and increase the BAX gene expression. Conclusion: These results exhibited that HA and FA possess pro-apoptotic effects through increasing the BAX/ BCL-2 expression in A375 cells. These molecular reports were confirmed by cellular nanomechanical assessments using AFM and flow cytometry. In addition, HA and FA inhibited melanogenesis by decreasing the expression of the Tyr gene. It is worthwhile to

    The Effect of Topical Lidocaine Gel, Intrauterine Lidocaine Injection and Combination of these Two Methods for Relieving Pain during Curettage: A Double Blind Randomized Clinical Trial

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    Introduction: Curettage is one of the most common gynecological surgeries in women. Its complication is pain which increases dissatisfaction in patients. Therefore, it is necessary to find a way to treat this complication. This study was performed with aim to compare the effects of three methods of using lidocaine gel in the cervix, intrauterine injection of lidocaine, and a combination of two methods to reduce pain during curettage. Methods: This clinical trial study was performed in 2017 on 120 patients candidates for curettage in Qazvin Kosar Hospital. Patients were randomly divided into three groups of topical lidocaine gel in the cervix, intrauterine injection of lidocaine and a combination of these two methods, and the drugs were prescribed before curettage. Vital signs and pain were recorded in patients and other information was collected by completing the questionnaire. Data analysis was performed using statistical software (version 22) and chi-square and ANOVA tests. P<0.05 was considered statistically significant. Results: The intrauterine and intra cervical injection of lidocaine (0.3±0.72) and then injection of intra cervical lidocaine (0.45±0.84) alone significantly reduced pain during curettage in women (P=0.04). On the other hand, no severe hemodynamic changes were observed in these patients. No complications such as nausea and vomiting and no instability of vital signs were observed in any of the groups (P>0.05). Conclusion: Intrauterine administration along with addition of topical lidocaine gel to the cervix can be used as a simple, low-cost, and safe method as to control pain during and after curettage

    PREVALENCE AND ANTIMICROBIAL SUSCEPTIBILITY OF FOODBORNE BACTERIAL PATHOGENS ISOLATED FROM BAGHLAVA AN IRANIAN EXPORTING PASTRY SWEET

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    Baghlava, a traditional pastry sweet product, are manufactured in Iran and exported to different countries around the world known as a tasty confectionery. The aim of this study was to investigate the prevalence and antibiotic resistance pattern of foodborne pathogens isolated from Baghlava samples. E. coli, C. sakazakii, Salmonella spp., C. perfringens and S. aureus were isolated and identified using PCR assay for detection of virulence factor gene in Baghlava samples. All pathogens except Salmonella spp. were detected in samples. Total contamination rates of E. coli, C. sakazakii, C. perfringens and S. aureus were observed 8.92, 7.14, 1.78 and 2.67%, respectively. Multidrug resistance properties to amoxicillin and ampicillin have been found in all strains; however, all isolates were susceptible to ciprofloxacin. Hierarchical clustering and contamination patterns of pathogens showed that the prevalence of each pathogen is significantly higher in the southern and northern regions of the city than central areas in which these products were produce

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