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In this study, bimetallic nanoparticles (NPs) of silver (Ag) and zinc oxide (ZnO) were synthesized using Leptadenia pyrotechnica leaf extract for the first time. Monometallic NPs were also obtained for comparison. The characterization of the prepared NPs was carried out using various techniques, including UV-Visible spectroscopy (UV-Vis), scanning electron microscopy (SEM), and X-ray diffraction (XRD). The latter confirmed the crystalline nature and diameter of the monometallic and bimetallic NPs of Ag and ZnO. The SEM images of the prepared NPs revealed their different shapes. The biological activities of the NPs were evaluated concerning their antibacterial, antioxidant, and cytotoxic properties. The antibacterial activities were measured using the time-killing method. The results demonstrated that both the monometallic and bimetallic NPs inhibited the growth of Gram-negative (Escherichia coli) and Gram-positive (Staphylococcus aureus) bacteria. The antioxidant activities of the NPs were evaluated using the DPPH (2,2-diphenyl-1-picrylhydrazyl) assay and their cytotoxicity was checked using the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay. The results indicated that the controlled quantity of the monometallic and bimetallic NPs did not affect the viability of the cells. However, the decreased cell (L-929) viability suggested that the NPs could have anticancer properties. Furthermore, the photocatalytic degradation of methyl violet and 4-nitrophenol was investigated using the prepared Ag/ZnO NPs, examining the factors affecting the degradation process and conducting a kinetic and thermodynamic study. The prepared Ag/ZnO NPs demonstrated good photocatalytic degradation (88.9%) of the methyl violet (rate constant of 0.0183 min-1) in comparison to 4-nitrophenol (NPh), with a degradation rate of 81.37% and 0.0172 min-1, respectively. Overall, the bimetallic NPs showed superior antibacterial, antioxidant, cytotoxic, and photocatalytic properties compared to the monometallic NPs of Ag and ZnO.
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The study area is a part of the Salt Range, where water quality is being deteriorated by natural and anthropogenic sources. This research integrates water quality assessment, arsenic enrichment, hydrogeochemical processes, groundwater recharge and carbon sources in aquifer. Total dissolved solid (TDS) contents in springs water, lake water and groundwater are in range of 681-847 mg/L, 2460-5051 mg/L and 513-7491 mg/L, respectively. The higher concentrations of magnesium and calcium in water bodies next to sodium are because of carbonates, sulfates, halite and silicates dissolution. The average concentrations of ions in groundwater are in order of HCO3- > SO42- > Cl- > Na+ > Mg2+ > Ca2+ > K+ > NO3-, virtually analogous to springs water, but different from lake water, categorized as poor quality and unfit for drinking purposes. Based on major ions hydrochemistry, NaCl and mixed Ca-Mg-Cl type hydrochemical facies are associated with concentration of arsenic (4.2-39.5 µg/L) in groundwater. Groundwater samples (70%) having arsenic concentration (11 ≤ As ≤ 39.5 µg/L) exceeded from World Health Organization (WHO) guideline (As ≤ 10 µg/L) in near neutral to slightly alkaline (6.7 ≤ pH ≤ 8.3), positive Eh(6 ≤ Eh ≤ 204 mV), signifying its oxic condition. Eh-pH diagrams for arsenic and iron indicate that 80% of groundwater for arsenic and iron were in compartments of HAsO42- and Fe(OH)3, unveil oxic environment. Arsenic is moderately positive correlated with TDS, sodium, chloride, bicarbonate, nitrate, sulfate and weak negative with δ13CDIC in surface and groundwater, forecasting multiple sources of arsenic to aquifer. Stable isotopes of waters show recharge of groundwater from local rain and lake water. The lower δ13CDIC values of groundwater are modified by influx of CO2 produced during biological oxidation of soil natural organic matter.
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Arsénico , Agua Subterránea , Contaminantes Químicos del Agua , Arsénico/análisis , Monitoreo del Ambiente , Cloruro de Sodio , Pakistán , Agua Subterránea/química , Isótopos/análisis , Sodio/análisis , Hierro , Cloruro de Sodio Dietético , Cloruros , Contaminantes Químicos del Agua/análisisRESUMEN
BACE1 enzyme has been known a potential target involved in Alzheimer's disease (AD). Present research was focused on the principles of virtually screening, chemical synthesis and protease inhibitory effect of BACE1 enzyme via biaryl guanidine derivatives. In-silico based paradigm (ligand binding interaction within active domain of BACE 1 enzyme i.e., aspartate Asp32 and Asp228) a novel compound was synthesized and subsequently subjected to in-vitro and in-vivo evaluation. 1,3-di(isoquinolin-6-yl) guanidine was synthesized and found potent (IC50 6±0.56 µM) and active to arrest (99 %) ß-secretase enzyme (FRET assay). Furthermore, it was found to improve novel object recognition test (RTI =56.55%) and Morris water maze test (32.26±3.45s) significantly (p<0.05). Enhanced pharmacokinetics and related properties (high iLOGP and Log S =-3.98) along with improved permeation to the blood brain barrier (BBB) (zero Lipinski violation) made it feasible to inhibit BACE1 as a novel therapeutic source to treat AD in future.
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Enfermedad de Alzheimer , Secretasas de la Proteína Precursora del Amiloide , Humanos , Guanidina/farmacología , Enfermedad de Alzheimer/tratamiento farmacológico , Ácido Aspártico Endopeptidasas , GuanidinasRESUMEN
Objective: The study was conducted to investigate the gut content and record morphometric and hematological parameters in the common hoopoe (Upupa epops). Materials and Methods: Twenty samples of healthy birds (10 from each sex) were collected from different locations in Okara District, Punjab, Pakistan, from September 2020 to March 2021. Birds were captured live for blood samples and morphometric and gut analyses. Results: It was revealed that the concentrations of different hematological parameters were as follows: hemoglobin, 20.03g/dl; red blood cells, 3.28 × 106/µl; white blood cells, 326.67 × 103/µl; hematocrit, 56.47%; MCV, 173.33 FL; MCH, 57.4 pg; MCHC, 57.4 pg; PLT, 8.33/µl; and RDW, 8.33/µl. The percentages of neutrophils, lymphocytes, monocytes, and eosinophils were 84.67%, 11.67%, 2.00%, and 1.67%, respectively. The gut content of the common hoopoe mostly consisted of Coleoptera and Acrididae larvae. However, Lepidoptera, Gryllotalpidae, and sand were also recorded, along with seeds of Salvadora persica. Conclusions: There were no significant differences between male and female U. epops in feeding content, total weight of the gut, or weight of the empty gut. Regarding the morphometric parameters, there was a significant difference in both sexes' wingspan, body length, and body weight. Males were significantly heavier than females.
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The purpose of this study was to find the biological propensities of the vegetable plant Pleurospermum candollei by investigating its phytochemical profile and biological activities. Phytochemical analysis was done by spectroscopic methods to investigate the amount of total polyphenols, and biological evaluation was done by the different antioxidant, enzyme inhibitory (tyrosinase, α-amylase, and α-glucosidase), thrombolytic, and antibacterial activities. The highest amount of total phenolic and flavonoid contents was observed in methanolic extract (240.69 ± 2.94 mg GAE/g and 167.59 ± 3.47 mg QE/g); the fractions showed comparatively less quantity (57.02 ± 1.31 to 144.02 ± 2.11 mg GAE/g, and 48.21 ± 0.75 to 96.58 ± 2.30 mg QE/g). The effect of these bioactive contents was also related to biological activities. GCMS analysis led to the identification of bioactive compounds with different biological effects from methanolic extract (antioxidant; 55.07%, antimicrobial; 56.41%), while the identified compounds from the n-hexane fraction with antioxidant properties constituted 67.86%, and those with antimicrobial effects constituted 82.95%; however, the synergetic effect of polyphenols may also have contributed to the highest value of biological activities of methanolic extract. Molecular docking was also performed to understand the relationship of identified secondary metabolites with enzyme-inhibitory activities. The thrombolytic activity was also significant (40.18 ± 1.80 to 57.15 ± 1.10 % clot lysis) in comparison with streptokinase (78.5 ± 1.53 to 82.34 ± 1.25% clot lysis). Methanolic extract also showed good activity against Gram-positive strains of bacteria, and the highest activity was observed against Bacillus subtilis. The findings of this study will improve our knowledge of phytochemistry, and biological activities of P. candollei, which seems to be a ray of hope to design formulations of natural products for the improvement of health and prevention of chronic diseases; however, further research may address the development of novel drugs for use in pharmaceuticals.
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Antiinfecciosos , Apiaceae , Productos Biológicos , Antibacterianos/química , Antibacterianos/farmacología , Antiinfecciosos/farmacología , Antioxidantes/química , Antioxidantes/farmacología , Productos Biológicos/farmacología , Metanol/química , Simulación del Acoplamiento Molecular , Fitoquímicos/química , Fitoquímicos/farmacología , Extractos Vegetales/química , Extractos Vegetales/farmacología , Polifenoles/farmacologíaRESUMEN
In this study bioassay-guided screening of Tecomella undulate was performed for its cytotoxic, antimutagenic and anticancer potential. The ariel parts were extracted on a polarity basis (methanol, dichloromethane and hexane). The in vivo toxicity was assessed on Caenorhabditis elegans, and its locomotion was affected by Tecomella undulata hexane (TUAH) the most. Ames test for antimutagenicity showed Tecomella undulata methanol (TUAM) exhibited against mutagen 2AA showed inhibition of 71.03% and 26.32% 2AA in TA98 while in in vitro MTT assay on carcinoma cell lines TUAM showed 68.1% cytotoxicity. Moreover, In resazurin assay on fibroblast cells African green monkey kidney VERO and on the panel of carcinoma cell lines, the most effective extract was TUAM on liver HepG-2 with CC50 value 117.37 ± 4.73 µg/ml followed by on lungs A549 with 142.01 ± 5.3. Furthermore, for the bioassay-guided screening, the selectivity index was calculated for TUAM CC50 ratio on HepG-2 and VERO which showed a decent 2.77 score. After column chromatography, the fraction TU-63 should remarkable cytotoxic effect in dose-response manner assay as (Hep-G2) CC50 value 11. 67 ± 1.37 µg/ml followed by (A549) CC50 value 17.23 ± 0.58 µg/ml. For qualitative analysis of anticancer potential LC-ESI-MS/MS the potential phytochemicals were identified. In silico molecular modelling against selected carcinogenic proteins. The results suggest Tecomella undulate the substantial anticancer potential which supports potential natural anticancer therapeutic drug candidate development for combating cancer.
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Blunt trauma to the kidney is usually minor and self-limiting. In some cases, the patient may present with intractable hematuria or persistent flank pain and discomfort, which necessitates aggressive management. It is very rare and unusual to find a renal arterio-venous malformation following blunt trauma. This unusual presentation should be kept in mind when a patient presents with hematuria and history of blunt abdominal trauma. We report the case of a young male who suffered blunt abdominal trauma two years back, and continued to have on-and-off hematuria. After extensive work up, a diagnosis of renal arterio-venous malformation was made. His case was managed promptly with renal angio-embolization. Key Words: Blunt trauma, Arterio-venous malformation (AVM), Angio-embolisation, kidney.
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Traumatismos Abdominales , Malformaciones Arteriovenosas , Enfermedades Renales , Heridas no Penetrantes , Traumatismos Abdominales/complicaciones , Traumatismos Abdominales/diagnóstico , Traumatismos Abdominales/terapia , Malformaciones Arteriovenosas/diagnóstico , Malformaciones Arteriovenosas/diagnóstico por imagen , Hematuria , Humanos , Masculino , Heridas no Penetrantes/complicaciones , Heridas no Penetrantes/diagnóstico , Heridas no Penetrantes/terapiaRESUMEN
Sleep is one of the most important functions of the life. The disturbance in sleep or quality of sleep leads to several dysfunctions of the human body. This study aimed to investigate the prevalence of sleep disorders, their possible risk factors and their association with other health problems. The data was collected from the educational community of the Pakistani population. The Insomnia Severity Index (ISI) was used to evaluate the insomnia and the sleep apnea was evaluated through a simple questionnaire method. The blood samples were collected to perform significant blood tests for clinical investigations. Current research revealed that the individuals in the educational community had poor sleep quality. A total of 1998 individuals from the educational community were surveyed, 1584 (79.28%) of whom had a sleep disorders, including insomnia (45.20%) and sleep apnea (34.08%). The measured onset of age for males and females was 30.35 years and 31.07 years respectively. The Clinical investigations showed that the sleep had significant impact on the hematology of the patients. Higher levels of serum uric acid and blood sugar were recorded with a sleep disorder. The individuals of the educational community were using the sleeping pills. The other associated diseases were mild tension, headaches, migraines, depression, diabetes, obesity, and myopia. The use of beverage, bad mood, medical condition, mental stress, disturbed circadian rhythms, workload and extra use of smartphone were major risk factors of sleep disorders. It was concluded that the insomnia was more prevalent than the sleep apnea. Furthermore, life changes events were directly linked with disturbance of sleep. Tension, depression, headaches, and migraine were more associated with sleep disorders than all other health issues.
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Trastornos Migrañosos , Síndromes de la Apnea del Sueño , Trastornos del Inicio y del Mantenimiento del Sueño , Trastornos del Sueño-Vigilia , Adulto , Estudios Epidemiológicos , Femenino , Cefalea/complicaciones , Humanos , Masculino , Trastornos Migrañosos/complicaciones , Pakistán/epidemiología , Prevalencia , Factores de Riesgo , Síndromes de la Apnea del Sueño/complicaciones , Trastornos del Inicio y del Mantenimiento del Sueño/complicaciones , Trastornos del Inicio y del Mantenimiento del Sueño/epidemiología , Trastornos del Sueño-Vigilia/complicaciones , Trastornos del Sueño-Vigilia/epidemiología , Ácido ÚricoRESUMEN
The current study explores the effectiveness of coconut husk for crystal violet dye sequestration employing a batch experimental setup. Characterization of adsorbent was carried out via FTIR, and SEM techniques and results confirmed the involvement of -OMe, -COC- and hydroxyl functional groups in dye uptake, and the rough, porous nature of adsorbent and after adsorption dye molecules colonized these holes resulting in dye exclusion. Effects of various adsorption parameters such as pH, adsorbent dose, contact time, initial dye concentration, and temperature of solution were studied. Crystal violet adsorption on coconut husk was highly pH-dependent, with maximum removal occurring at basic pH. Maximum removal of dye, i.e., 81%, takes place at optimized conditions. Kinetic data was analyzed by pseudo-first, pseudo-second order and an intra-particle diffusion model. Results showed that the pseudo-second order kinetic model best described adsorption of crystal violet onto coconut husk. Langmuir, Freundlich, and D-R adsorption isotherms were also used to test their appropriateness to experimental data and the Freundlich isotherm fits best to data. Thermodynamic parameters showed that the current process was spontaneous, endothermic in nature with continuous decrease in entropy. Established practice is 79% applicable to tap water and in acidic medium nearly 80% of adsorbent was recovered, confirming the effectiveness and appropriateness of coconut husk for crystal violet dye exclusion from wastewater.
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Violeta de Genciana , Purificación del Agua , Adsorción , Cocos , Violeta de Genciana/química , Aguas Residuales , Purificación del Agua/métodosRESUMEN
Hepatitis C virus is still a global challenge affecting millions of carriers worldwide with the more devastating situation in developing countries. Present-day clinical manifestations are insufficient to tackle the increasing disease burden unaffordable cost, viral resistance and adverse effects of treatment. In this research, indigenous medicinal plants from Pakistan tested in bioassay guided manner on Huh-7 cell lines for their antiviral effect, synergism of purified fraction with interferon FDA approved drug regime, as the receptor for developing transfection model. The methanol extract of Syzgium cumine was observed against HCV through serum titter reduction in Quantitative Real Time PCR assay and the gene expression system, NS3protease inhibition was 76% and 51% against genotype 1a and 3a, respectively. More precisely the most active fraction SC14 was assessed in dose response assay and synergistic potential resulted in 50% reduction (EC50 Value) in HCV titer of genotype 1a and 3a at a concentration of 71.96 ± 8.67 µg and 31.75 ± 3.28 µg, respectively, at a concentration of 100 µg. As per our research work, the S. cumine extract has shown a promising effect on HCV genotypes 1a and 3a. Moreover the purified fraction S. cumine SC14 has a potential synergistic effect and ability to suppress the gene effect of NS3 during transfection in Huh-7 cells and GC/MS analysis reports the presence of Di-n-octyl phthalate (C24H38O4) which can be future direct-acting antiviral therapy against Hepatitis C virus.
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Hepatitis C Crónica , Hepatitis C , Antivirales/farmacología , Antivirales/uso terapéutico , Bioensayo , Genotipo , Hepacivirus/genética , Hepatitis C Crónica/tratamiento farmacológico , Hepatocitos , Humanos , Proteínas no Estructurales Virales/genéticaRESUMEN
The in silico molecular dynamics and structure-based site-specific drug design of indigenous plant biomolecules and selected proteins have remarkable potential for cancer therapy. A set of five proteins included for this research were epidermal growth factor protein (PDB ID; 1M17), crystal structure of mutated EGFR kinase (PDB ID; 2EB3), crystal structure of Bcl-xl (PDB ID; 2YXJ), apoptosis regulator protein MCL-1 BH3 (PDB ID; 3MK8) and apoptosis proteins (PDB ID; 5C3H). The present study on in silico investigation of fifteen indigenous medicinal plants were selected there one hundred thirty four ligands available literature were docked against five proteins involved in carcinogenesis. The highest scoring in silico plant, Fagonia indica was subjected to in vitro cytotoxic effects on HCT116, HepG-2 and HeLa human carcinoma cell lines. Molecular dynamics showed best ligand-protein inhibition interaction between Coumarin-2xyj and Kaempferol-2eb3 with promising binding affinities. Whereas, on HeLa human cervical cancer cell line IC50 was 28.3±0.102/ml. Fagonia indica could be potential source from natural products that have cytotoxic properties against cervical cancer cells by blocking mutant epidermal growth factor tyrosine or peroxisome proliferators activated receptor proteins.
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Antineoplásicos Fitogénicos/farmacología , Supervivencia Celular/efectos de los fármacos , Extractos Vegetales/farmacología , Zygophyllaceae/química , Antineoplásicos Fitogénicos/química , Simulación por Computador , Cumarinas/metabolismo , Factor de Crecimiento Epidérmico/metabolismo , Receptores ErbB/metabolismo , Células HCT116 , Células HeLa , Células Hep G2 , Humanos , Técnicas In Vitro , Concentración 50 Inhibidora , Quempferoles/metabolismo , Simulación del Acoplamiento Molecular , Proteína 1 de la Secuencia de Leucemia de Células Mieloides/metabolismo , Fitoquímicos/química , Fitoquímicos/metabolismo , Fitoquímicos/farmacología , Extractos Vegetales/química , Proteína bcl-X/metabolismoRESUMEN
An exceedingly facile green approach that produces a reliable adsorbent based on a transition metal such as Iron (Fe) using Mangifera indica leaf extract at room temperature is described. A single pot method was used for synthesis with no capping agents, surfactants or other templates. The main intention of this study is to synthesize iron nanoparticles from leaf extract (Mangifera indica) and examine its degradation potential for photo-catalytic removal of dyes (Congo red and brilliant green) from wastewater. Characterization of synthesized nanoparticles was executed by pHpzc, scanning electron microscopy and Fourier transform infrared spectroscopy studies and results confirm the presence of iron nano-sheets with biomolecules. All photo-catalytic experimental results were assessed by sum of squared estimate of errors and simple linear regression R2 with dye concentration, pH, contact time and dose rate as dependent and independent variables. Adsorption experimental data was verified by kinetics and isothermal models. Results showed that Langmuir and pseudo second order models give best fitness towards the photo-catalytic adsorption procedure. Thermodynamics revealed that adsorption mechanism is endothermic, described by the values of changes in Gibbs free energy, enthalpy and entropy, and is chemisorption in nature, with spontaneous processes. Overall photo-catalytic adsorption execution with synthesized iron nanoparticles and simple biomass of Mangifera indica gives satisfactory results for treating dye wastewater.
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Nanopartículas , Contaminantes Químicos del Agua , Adsorción , Colorantes , Concentración de Iones de Hidrógeno , Cinética , Mangifera , Extractos Vegetales , Espectroscopía Infrarroja por Transformada de Fourier , TermodinámicaRESUMEN
The current study reports a systematic methodology of Zea mays L. (sweet corn) cobs (ZMLC) for the sequestration of synthetic dye (gentian violet) from aqueous solutions. Adsorbent was scrutinized by using scanning electron microscopy, Fourier transform infra-red spectrometry with pHpzc determination. The impact of various adsorption parameters including pH effect, ZMLC (sorbent) dosage, temperature, concentration and shaking time was examined. The equilibrium sorption isotherms were determined by the batch method from 283 to 303 K at pHpzc. Adsorption data were adjusted to four isothermal models: Langmuir, Freundlich, Dubinin-Radushkevich and Temkin's models, which presented the best adjustment to Freundlich, Dubinin-Radushkevich and Temkin's at 283 K. The kinetic profile fitted well to the pseudo-second order kinetic equation at three distinct concentrations 600, 700, 800 mg/L. Maximum sorption capacity was gained up to 700 mg.g-1 for gentian violet at pH 3, respectively. The adsorption process is endothermic, non-spontaneous, favorable thermodynamically due to positive values of entropy and Gibbs free energy and randomness decreases during the adsorption process. Furthermore, after biosorption onto ZMLC the dye can be desorbed effectively by using mineral base KOH solution. Consequently, the ZMLC is said to be a promising biosorbent to remediate gentian violet-contaminated water as well as wastewater.
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Contaminantes Químicos del Agua , Zea mays , Adsorción , Violeta de Genciana , Concentración de Iones de Hidrógeno , Cinética , Espectroscopía Infrarroja por Transformada de Fourier , Termodinámica , AguaRESUMEN
Cancer is one of the most diagnosed and life threatening disease throughout the world. Nevertheless present day clinical management for cancers are surgery, radiations which are insufficient to contain the disease burden. In the past two decades, more than half of chemotherapeutic drugs developed are either directly or indirectly dependent on medicinal base phytocompounds or their derivative. The present study aims to provide the base for chemotherapeutic phytochemicals. Fagonia indica showed significant antimutagenic potential with reference to control IC50 values were calculated as 146.33±5.2µg/ml, TA100 (AZS) 105.33±4.0µg/ml, TA98 (2AA) 113.6±5.2µg/ml followed and TA98 (AZS) 112.6±4.4 in Ames test. For this reason, the antiproliferation effect of extracts on cancer cell lines was studied through resazurin fluorescence. On HepG-2 cell lines 50% cytotoxic concentration (CC50) of (FIWM) was recorded as 128.3±,2.43µg/ml. On the homo sapiens epithelial cell of lung tissue (A549), the high throughput instrumental analysis of Fagonia indica depicts maximum cytotoxic effect in 30hr. The electrical impedance displays the real-time evidence about qualitative apoptosis expressed. The impedance results were supported as palmitic acid from Fagonia indica virtually that inhibits Cyclin Dependent Kinase 2 (CDKs 2) in silico molecular docking studies. Fagonia indica extract possesses substantial antimutagenic, cytotoxic and anticancer activity which supports the potential of its phytochemicals for drug development.
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Antimutagênicos/farmacología , Antineoplásicos Fitogénicos/farmacología , Ácido Palmítico/farmacología , Fitoquímicos/farmacología , Inhibidores de Proteínas Quinasas/farmacología , Zygophyllaceae , Células A549 , Antimutagênicos/aislamiento & purificación , Antineoplásicos Fitogénicos/aislamiento & purificación , Apoptosis/efectos de los fármacos , Quinasa 2 Dependiente de la Ciclina/antagonistas & inhibidores , Quinasa 2 Dependiente de la Ciclina/metabolismo , Células Hep G2 , Humanos , Neoplasias Hepáticas/tratamiento farmacológico , Neoplasias Hepáticas/enzimología , Neoplasias Hepáticas/patología , Neoplasias Pulmonares/tratamiento farmacológico , Neoplasias Pulmonares/enzimología , Neoplasias Pulmonares/patología , Simulación del Acoplamiento Molecular , Ácido Palmítico/aislamiento & purificación , Fitoquímicos/aislamiento & purificación , Inhibidores de Proteínas Quinasas/aislamiento & purificación , Salmonella typhimurium/efectos de los fármacos , Salmonella typhimurium/genética , Zygophyllaceae/químicaRESUMEN
The present study aimed at exploring the sources of salinity and the link it shares with the enrichment of As (arsenic) and F- (fluoride) in the groundwater of Rachna Doab. Total Dissolved Solids (TDS) were used as the measure of salinity to classify samples into three groups: TDS <1000 mg/L (freshwater), 1000-3000 mg/L (slightly saline) and 3000-10,000 mg/L (moderately saline). The stable isotope analysis (δ2H and δ18O relative to VSMOW) were used to explore the sources of salinity and a conceptual model, based on secondary data was used for comparing the current and past scenarios of groundwater salinization sources. Groundwater ion chemistry and geochemical modeling (PHREEQC) were used to develop a link between the occurrence of salinity and enrichment patterns of As and F- in the groundwater of study area. TDS, As and F- concentrations in groundwater ranged from 234 to 4557 mg/L, below detection limit to 240 µg/L and below detection limit to 3.9 mg/L, respectively. Mineral dissolution, ion exchange processes, and partial input of evaporation were identified as the factors affecting groundwater salinity in the region in accordance with the conceptual model developed based on secondary data. Groundwater salinity accounts as one of the factors that positively influence the enrichment of F- in groundwater, whereas As shows no clear relationship with saline groundwaters.
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Arsénico , Agua Subterránea , Contaminantes Químicos del Agua , Arsénico/análisis , Monitoreo del Ambiente , Fluoruros/análisis , Isótopos , Minerales , Pakistán , Salinidad , Contaminantes Químicos del Agua/análisisRESUMEN
Aim of this study was to synthesize new inhibitors on the basis of active site of aspartic protease enzyme and to evaluate their intended biological activity. A3D model of an enzyme was generated via homology modeling and series of novel amide ligands were synthesized by using a short high yield process, subsequently, analyzed in-silico and in-vitro anti-leishmanial activities. Characterization and identification was accomplished via NMR (H1& C13), infrared and mass spectroscopic techniques. Among all compound (4) was found to show significant activity (IC50 58±0.01) against Leishmania major (L. major) species. Furthermore, docking studies confirmed the inhibition of a targeted enzyme that supported the interaction of potent compound (4) with key residues (aspartic protease) via hydrogen bonds. Present study conferred about novel compound (4) as a promising compound to antagonize L. major activities in future.
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Amidas/síntesis química , Antiprotozoarios/síntesis química , Leishmania/efectos de los fármacos , Simulación del Acoplamiento Molecular/métodos , Amidas/metabolismo , Amidas/farmacología , Antiprotozoarios/metabolismo , Antiprotozoarios/farmacología , Leishmania/metabolismo , Ligandos , Estructura Molecular , Estructura Secundaria de Proteína , Relación Estructura-ActividadRESUMEN
Biogeochemical mobilization of arsenic in groundwater depends on the presence of dissolved organic matter (DOM) that likely promotes the As release, i.e., reductive dissolution, complexation, competition, and electron shuttling. We investigated the role of DOM in As release, along with its complete characterization, in the Indus plain of Pakistan, one of the worst arsenic impacted zones in the South Asian region. In total, 60 groundwater and 15 soil samples, collected at six sites from north to south within the flood plain of the Ravi River, Lahore, Pakistan were investigated. Arsenic concentration ranged from 9.61 µg/L to 386 µg/L in the groundwater samples (high As observed in areas close to the river). Dissolved organic carbon (DOC) in 29 groundwater samples ranged between 0 and 10.1 mg-C/L. A moderately positive correlation of As with DOC and Fe in the northern part of the study area suggest the reductive dissolution of FeOOH associated with dissolved organic matter (DOM). The reductive dissolution plays an essential role for As enrichment in the area evidenced by the lower concentrations of SO42-, NO3-, and PO34-and a non-correlative pattern with As. In contrast, a positive correlation of As with PO34-, DOC, and HCO3- in the southern part indicate competitive desorption behind the As release. Fluorescence excitation-emission matrix intensity data of DOM indicate the maximum presence of humic-like substances in the northern part that gradually shifts to aromatic, fulvic and protein type towards the southern part. Specific ultraviolet absorbance and fluorescence index display aromatic and terrestrial (allochthonous) sources of DOM near the riverbank and mixed (both allochthonous and autochthonous) source away from the river. The positive correlations of As with DOC and fluorescence intensity also attest that DOM played a vital role in the As mobilization in groundwater of the study area.
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Arsénico/análisis , Monitoreo del Ambiente , Contaminantes Químicos del Agua/análisis , Fluorescencia , Agua Subterránea/química , Pakistán , Ríos/químicaRESUMEN
Hydrogeochemical methods were integrated to delineate the geochemical factors controlling fluoride (F-) contamination in groundwater at four sites in the districts of Lahore (Samada) and Kasur (Sari Chimba, Kot Maiga, and Chah Fatehwala) in Panjab province of Pakistan. Hydrochemical data and stoichiometric ratios indicate Na-Cl and Na-HCO3 as the dominant water types with silicate weathering influencing overall hydrogeochemistry of the study area. The groundwater F- concentrations ranged between 0.54 mg/L and 17.5 mg/L, with more than 70% samples having F- concentrations above the World Health Organization (WHO) provisional drinking water guideline (1.5 mg/L). Saturation indices determined that 100% samples were saturated with respect to calcite and 96% samples were undersaturated with respect to fluorite, indicating the influence of calcite precipitation on fluoride enrichment. A positive correlation was observed between fluoride with pH, Na+, and HCO3-, confirming that high fluoride concentrations were the result of weathering of silicate minerals and the exchange of OH- on clay surface under the alkaline pH conditions. The isotopic values of δ18O and δ2H in groundwater ranged from 9.14 to - 5.51 and 56.57 to - 39.5, respectively. The stable isotope data indicated the meteoric origin of groundwater with some evaporative effect, which is partly influencing groundwater quality such as high pH and salinity, as a result facilitating anion exchange (OH- for F-) on clays surface. The research indicates that the groundwater quality of the study area is not recommendable for drinking due to its high total dissolved solids (TDS) and elevated fluoride concentrations.
Asunto(s)
Carbonato de Calcio/química , Fluoruros/análisis , Minerales/análisis , Contaminantes Químicos del Agua/análisis , Agua Subterránea , Isótopos , Minerales/química , Pakistán , Salinidad , Sodio/análisis , Sodio/química , Tiempo (Meteorología)RESUMEN
Enzymes are biological catalyst involve in different biochemical reactions. But over activation of these biomolecules can cause disease thus different inhibitors and knockout therapies are use in current clinical practice. Carbonic anhydrases (CAs), a group of ubiquitously expressed metalloenzymes, are involved in numerous physiological and pathological processes, including gluconeogenesis, lipogenesis, ureagenesis, tumorigenicity and the growth and virulence of various pathogens. In addition to the established role of CA inhibitors (CAIs) as diuretics and antiglaucoma drugs, it has recently emerged that CAIs could have potential as novel anti-obesity, anticancer and anti-infective drugs. Furthermore, recent studies suggest that CA activation may provide a novel therapy for Alzheimer's disease. This article discusses the biological rationale for the novel uses of inhibitors or activators of CA activity in multiple diseases, and highlights progress in the development of specific modulators of the relevant CA isoforms, some of which are now being evaluated in clinical trials.
Asunto(s)
Antiinfecciosos/farmacología , Fármacos Antiobesidad/farmacología , Antineoplásicos/farmacología , Inhibidores de Anhidrasa Carbónica/farmacología , Diuréticos/farmacología , Enfermedad de Alzheimer/tratamiento farmacológico , Animales , Antiinfecciosos/química , Antiinfecciosos/uso terapéutico , Fármacos Antiobesidad/química , Fármacos Antiobesidad/uso terapéutico , Antineoplásicos/química , Antineoplásicos/uso terapéutico , Inhibidores de Anhidrasa Carbónica/química , Inhibidores de Anhidrasa Carbónica/uso terapéutico , Diuréticos/química , Diuréticos/uso terapéutico , Glaucoma/tratamiento farmacológico , Humanos , Simulación del Acoplamiento Molecular , Obesidad/tratamiento farmacológico , Osteoporosis/tratamiento farmacológicoRESUMEN
Leclercia adecarboxylata can be misidentified as Escherichia coli, due to similar biochemical properties. Automated identification systems and mass spectrometry play a very critical role in isolating atypical organisms like L adecarboxylata. General guidelines recommend treating L adecarboxylata peritonitis for 3 weeks without removal of peritoneal dialysis catheter.