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1.
Pest Manag Sci ; 2022 Sep 25.
Artigo em Inglês | MEDLINE | ID: mdl-36153706

RESUMO

BACKGROUND: Bacillus species synthesize antifungal lipopeptides (LPs) making them a sustainable and eco-friendly management option to combat Fusarium wilt of chickpea. RESULTS: In this study, 18 endophytic Bacillus strains were assessed for their antifungal activity against Fusarium oxysporum f. sp. ciceris (FOC) associated with Fusarium wilt of chickpea. Among them, 13 strains produced significant inhibition zones in a direct antifungal assay while five strains failed to produce the inhibition of FOC. Bacillus thuringiensis CHGP12 exhibited the highest inhibition 3.45 cm of FOC. The LPs extracted from CHGP12 showed significant inhibition of the pathogen. Liquid chromatography-mass spectrometry (LC-MS) analysis confirmed that CHGP12 possessed the ability to produce fengycin, surfactin, iturin, bacillaene, bacillibactin, plantazolicin, and bacilysin. In an in vitro qualitative assay CHGP12 exhibited the ability to produce lipase, amylase, cellulase, protease, siderophores, and indole 3-acetic acid (IAA). IAA and gibberellic acid (GA) were quantified using ultra-performance liquid chromatography (UPLC) with 370 and 770 ng mL-1 concentrations of IAA and GA respectively. Furthermore, the disease severity showed a 40% decrease over control in CHGP12 treated plants compared to the control in a glasshouse experiment. Moreover, CHGP12 also exhibited a significant increase in total biomass of the plants namely, root and shoot growth parameters, stomatal conductance, and photosynthesis rate. CONCLUSION: In conclusion, our findings suggest that B. thuringiensis CHGP12 is a promising strain with high antagonistic and growth-promoting potential against Fusarium wilt of chickpea. © 2022 Society of Chemical Industry.

2.
J Pak Med Assoc ; 72(7): 1363-1368, 2022 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-36156561

RESUMO

OBJECTIVE: To determine the effects of cognition improvement strategies on academic performance, stress and sleep quality of medical students. METHODS: The cross-sectional study was conducted at the Dow University of Health Sciences, Karachi, from March 2019 to March 2020, and comprised medical students regardless of gender and academic year. Academic performance was assessed through grade point average, while stress and sleep were assessed using the Perceived Stress Scale and Pittsburgh Sleep Quality Index. Data was analysed using SPSS 25. RESULTS: Of the 770 subjects, 748(97%) formed the final sample with mean age 20.32±1.49 years; 619(82.7%) females and 129(17.2%) males. Overall, there were 655(87.6%) consumers of cognitive enhancers and 93(12.4%) non-cunsumers. The mean Pittsburgh Sleep Quality Index score of consumers was 6.05±3.306, while that of non-consumers was 5.80±3.701. The respective mean Perceived Stress Scale scores were 21.18±6.09 and 20.5±6.8. There was no significant association of consumption of cognitive enhancers with academic performance and stress levels (p>0.05), but it was significant with sleep quality (p<0.05). CONCLUSIONS: Majority of the students were found to be consuming cognitive enhancers, but no significant association of the stimulants was found with either academic performance or stress.


Assuntos
Nootrópicos , Estudantes de Medicina , Adolescente , Adulto , Cognição , Estudos Transversais , Feminino , Humanos , Masculino , Estudantes de Medicina/psicologia , Inquéritos e Questionários , Adulto Jovem
3.
Sci Total Environ ; 850: 157961, 2022 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-35963399

RESUMO

Heavy metals and persistent organic pollutants are causing detrimental effects on the environment. The seepage of heavy metals through untreated industrial waste destroys the crops and lands. Moreover, incineration and combustion of several products are responsible for primary and secondary emissions of pollutants. This review has gathered the remediation strategies, current bioremediation technologies, and their primary use in both in situ and ex situ methods, followed by a detailed explanation for bioremediation over other techniques. However, an amalgam of bioremediation techniques and nanotechnology could be a breakthrough in cleaning the environment by degrading heavy metals and persistant organic pollutants.


Assuntos
Poluentes Ambientais , Metais Pesados , Poluentes do Solo , Biodegradação Ambiental , Poluentes Ambientais/análise , Resíduos Industriais , Metais Pesados/análise , Poluentes Orgânicos Persistentes , Solo
4.
Medicine (Baltimore) ; 101(31): e29212, 2022 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-35945738

RESUMO

BACKGROUND: Virtual reality (VR) is an advanced technique used in physical rehabilitation of neurological disorders, however the effects of VR on balance, gait, and motor function in people with Parkinson's (PD) are still debated. Therefore, the systematic review aimed to determine the role of VR on motor function, balance and gait in PD patients. METHODS: A comprehensive search to identify similar randomised controlled trials was conducted targeting 5 databases including Web of Science, PubMed, CINHAL, Cochrane Library, and Physiotherapy Evidence Database. A total of 25 studies were found eligible for this systematic review, and the methodological assessment of the quality rating of the studies was accomplished using the physiotherapy evidence database scale by 2 authors. RESULTS: Out of the 25 included studies, 14 studies reported on balance as the primary outcome, 9 studies were conducted to assess motor function, and 12 assessed gait as the primary outcome. Most studies used the Unified Parkinson disease rating scale UPDRS (part-III) for evaluating motor function and the Berg Balance Scale as primary outcome measure for assessing balance. A total of 24 trials were conducted in clinical settings, and only 1 study was home-based VR trainings. Out of 9 studies on motor function, 6 reported equal improvement of motor function as compared to other groups. In addition, VR groups also revealed superior results in improving static balance among patient with PD. CONCLUSION: This systemic review found that the use of VR resulted in substantial improvements in balance, gait, and motor skills in patients with PD when compared to traditional physical therapy exercises or in combination with treatments other than physical therapy. Moreover, VR can be used as a supportive method for physical rehabilitation in patients of PD. However, the majority of published studies were of fair and good quality, suggesting a demand for high quality research in this area.


Assuntos
Doença de Parkinson , Terapia de Exposição à Realidade Virtual , Realidade Virtual , Marcha , Humanos , Equilíbrio Postural , Terapia de Exposição à Realidade Virtual/métodos
6.
Psychiatr Danub ; 34(1): 148-156, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35467632

RESUMO

BACKGROUND: Past studies provide crucial evidence that pregnancy and childbirth increase the risk of emotional vulnerability and instability. Current research intends to explore the role of early maladaptive schemas and mindfulness as determinants of postpartum depression for expecting mothers during COVID-19 pandemic. METHOD: The data was collected from 170 expecting mothers who conceived and gave birth during the COVID-19 pandemic. Edinburgh postnatal depression scale, the young schema questionnaire-SF 75 items, and the Kentucky inventory for mindfulness scale were administered. RESULTS: Results discovered that mindfulness partially mediated the relationship between three kinds of early maladaptive schemas and postpartum depression. CONCLUSION: Mindfulness-based control techniques can be considered to buffer the impact of the early maladaptive schemas on postpartum depression, for mothers who give birth during any challenging time.


Assuntos
COVID-19 , Depressão Pós-Parto , Atenção Plena , Adaptação Psicológica , Depressão Pós-Parto/epidemiologia , Feminino , Humanos , Pandemias , Gravidez
7.
Photodiagnosis Photodyn Ther ; 38: 102758, 2022 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-35158074

RESUMO

BACKGROUND: Raman spectroscopy is an effective tool for detecting and discriminating microorganisms that is robust, reliable, and rapid. OBJECTIVES: To develop a polymerase chain reaction technique (PCR) based on Surface Enhanced Raman Spectroscopy (SERS) technique with principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) were used to assess diagnostic capability of SERS for distinguishing between tuberculosis (TB) positive rifampin resistant and tuberculosis (TB) positive rifampin susceptible samples. METHODS: Silver nanoparticles (Ag NPs) were used as SERS substrates and technique was used to distinguish TB positive rifampin (RIF) resistant and TB positive rifampin (RIF) susceptible patients on the basis of characteristic SERS spectral features of their respective PCR products. SERS spectra were acquired from 52 samples of PCR products including 22 samples of TB positive rifampin susceptible, 30 samples of TB positive rifampin resistant and negative control samples. All these samples were collected from individuals of same age. Furthermore, multivariate data analyses techniques such as PCA and PLS-DA were used to assess diagnostic capability of SERS for distinguishing between TB positive rifampin resistant and TB positive rifampin susceptible samples. RESULTS: PCA is found helpful for successful differentiation among these two groups of spectral data sets. Moreover, PLS-DA provides this classification quantitatively by predicting the class of SERS spectral data set with 73% area under curve, 96% sensitivity, 95.6% specificity and 95% accuracy. CONCLUSION: SERS can be employed for the rapid distinguishing between TB positive rifampin resistant and TB positive rifampin susceptible samples.


Assuntos
Nanopartículas Metálicas , Mycobacterium tuberculosis , Fotoquimioterapia , Tuberculose , Humanos , Fotoquimioterapia/métodos , Reação em Cadeia da Polimerase , Rifampina/farmacologia , Sensibilidade e Especificidade , Prata , Análise Espectral Raman , Tuberculose/diagnóstico , Tuberculose/tratamento farmacológico
8.
Environ Res ; 205: 112422, 2022 04 01.
Artigo em Inglês | MEDLINE | ID: mdl-34843725

RESUMO

In this study we have synthesized a heterostructured metal organic framework (MOF) consisting of self-assembled porous carbon nitride (gC3N4) and, reduced graphene oxide (RGO) with MIL-125(Ti) (CN-GO-MIL) through a simple synthesis route. As-synthesized CN-GO-MIL was characterized to determine its morphological, surface, structural, and optical properties. The synthesis produced a porous nanomaterial with efficient visible light capture and electron transport. CN-GO-MIL proved 2.23 and 1.23 times as effective as bare MIL-125(Ti) for Rhodamine B (RhB) degradation and chromium (Cr) reduction, respectively. We propose a governing photocatalytic degradation and reduction mechanism in which superoxide plays a major role in the photocatalytic degradation, followed by O21, OH·, and holes, and identify methanol as a suitable hole scavenger for reduction of Cr. Moreover, Cr reduction can be best achieved at pH 2 in the presence of methanol. Performance of material in terms of apparent quantum yield (AQY), figure of merit (FOM), and catalyst surface efficiency (S.E), suggests 5% CN-GO-MIL is an efficient photocatalyst for degradation of RhB. Comparison of the AQY with previously reported MOF-based composites shows that the as synthesized 5% CN-GO-MIL can be regarded as one of best performing photocatalyst under visible light irradiation for abatement of organic and inorganic pollution.


Assuntos
Grafite , Titânio , Catálise , Dietilamida do Ácido Lisérgico/análogos & derivados , Titânio/química
9.
Photodiagnosis Photodyn Ther ; 41: 103262, 2022 Dec 29.
Artigo em Inglês | MEDLINE | ID: mdl-36587860

RESUMO

BACKGROUND: Surface Enhanced Raman Spectroscopy (SERS) is a very promising and fast technique for studying drugs and for detecting chemical nature of a molecule and DNA interaction. In the current study, SERS is employed to check the interaction of different concentrations of n-propyl imidazole derivative ligand with salmon sperm DNA using silver nanoparticles as SERS substrates. OBJECTIVES: Multivariate data analysis technique like principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) are employed for the detailed analysis of the SERS spectral features associated with the mode of action of the imidazole derivative ligand with DNA. METHODOLOGY: Silver nanoparticles were used as a SERS substrate in DNA-drug interaction. Five different concentrations of ligands were interacted with DNA and mix with Ag-NPs as substrate. The SERS spectra of were acquired for all seven samples and processed using MATLAB. Additionally, PCA and PLS-DA were used to assessed the ability SERS to differentiate interaction of DNA-drug. RESULTS: Differentiating SERS features having changes in their peak position and intensities are observed including 629, 655, 791, 807, 859, 1337, 1377 and 1456 cm-1. These SERS features reveal that binding of ligand with DNA is electrostatic in nature, and have specificity to major groove where it forms GC-CG interstrand cross-linking with the DNA double helix. CONCLUSIONS: SERS give significant information regarding to Drug-DNA interaction mechanism, SERS spectra inferred the mode of action of anticancer compound that are imidazole in nature.

10.
Interdiscip Sci ; 13(3): 521-534, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34324157

RESUMO

The prolific spread of COVID-19 caused by a novel coronavirus (SARS-CoV-2) from its epicenter in Wuhan, China, to every nook and cranny of the world after December 2019, jeopardize the prevailing health system in the world and has raised serious concerns about human safety. Multi-directional efforts are made to design small molecule inhibitors, and vaccines and many other therapeutic options are practiced, but their final therapeutic potential is still to be tested. Using the old drug or vaccine or peptides could aid this process to avoid such long experimental procedures. Hence, here, we have repurposed a small peptide (ATLQAIAS) from the previous study, which reported the inhibitory effects of this peptide. We used in silico mutagenesis approach to design more peptides from the native wild peptide, which revealed that substitutions (T2W, T2Y, L3R, and A5W) could increase the binding affinity of the peptide towards the 3CLpro. Furthermore, using MD simulation and free energy calculation confirmed its dynamics stability and stronger binding affinities. Per-residue energy decomposition analysis revealed that the specified substitution significantly increased the binding affinity at the residue level. Our wide-ranging analyses of binding affinities disclosed that our designed peptide owns the potential to hinder the SARS-CoV-2 and will reduce the progression of SARS-CoV-2-borne pneumonia. Our research strongly suggests the experimental and clinical validation of these peptides to curtail the recent corona outbreak.


Assuntos
Simulação por Computador , Proteases 3C de Coronavírus/antagonistas & inibidores , Simulação de Dinâmica Molecular , Mutagênese , Peptídeos/química , Peptídeos/farmacologia , SARS-CoV-2/efeitos dos fármacos , Antivirais/química , Antivirais/farmacologia , Antivirais/uso terapêutico , COVID-19/virologia , Humanos , Simulação de Acoplamento Molecular , Peptídeos/genética , Inibidores de Proteases/química , Inibidores de Proteases/farmacologia , Inibidores de Proteases/uso terapêutico , /genética , SARS-CoV-2/enzimologia , Termodinâmica
11.
J Coll Physicians Surg Pak ; 30(7): 871-872, 2021 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-34271797

RESUMO

The objective of this study was to ascertain whether, among the cases of neonatal sepsis, there is any significant difference between GLR (Granulocyte to Lymphocyte ratio) of different groups of patients according to their vitamin D status. One hundred and nine neonates with odd admission number, admitted in NICU (Neonatal Intensive Care Unit) with clinical manifestations of neonatal sepsis during the study period from December 2017 to December 2018, were included in the study. Vitamin D deficiency was present in 83 (76.1%), normal vitamin D levels were present in 21 (19.3%), and hypervitaminosis D was detected in 5 (4.6%) patients. Kruskal-Wallis test showed that there was no significant difference between GLR of different group of patients, according to their vitamin D status. There was no significant difference between GLR of different groups, according to outcome. Key Words: Granulocyte to Lymphocyte Ratio, Vitamin D, Neonatal sepsis.


Assuntos
Sepse Neonatal , Sepse , Deficiência de Vitamina D , Granulócitos , Humanos , Recém-Nascido , Linfócitos , Sepse Neonatal/epidemiologia , Vitamina D , Deficiência de Vitamina D/epidemiologia
12.
Chemosphere ; 284: 131247, 2021 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-34192662

RESUMO

In this study, we prepared Fe2O3/TNT composite (Fe-TNT) foil by combining anodization with the hydrothermal method. Photocatalytic reaction was restricted by a cluster of iron particles accumulated on the foil surface and the photocatalytic reaction sites reduces. Herein, using XPS determined that these iron particles are composed of iron oxide. An acid treatment, hydrochloric acid (HCl) was used to successfully remove the surface accumulation of iron oxide particles on the photocatalyst. Using cleaned Fe-TNT foil, the photocatalytic activity of 5 mg/L Congo red (CR) and hexavalent chromium reduction was significantly increased under visible irradiation. In addition, the influence of different aspects such as pH, the concentration of Fe, and the effect of different acid treatment time was evaluated. Removing the surface accumulated iron oxide and adjusting the pH in acidic medium, 73% hexavalent chromium reduction achieved within 180 min. The reusability was also explored by monotonous CR degradation. The CR degradation using Fe0.25-TNT was lessened from 78% in the first cycle to 71% in the 3rd cycle. It was also confirmed experimentally that photocatalytic activity improvement of HCl treated Fe-TNT was not due to alternation in nanotube structure.


Assuntos
Ácido Clorídrico , Nanotubos , Catálise , Cromo , Luz , Titânio
13.
Environ Res ; 197: 111120, 2021 06.
Artigo em Inglês | MEDLINE | ID: mdl-33823191

RESUMO

The application of photocatalysis for the effective removal of textile dyes is dependent on various parameters related with both water quality and different chemicals discharge during the dying process. Because the oxidation rates of the particular mixtures mainly influenced by the elements of the water matrix. These elements comprised of organic, inorganic salts, heavy metals, and ions. The impact of water matrices (Tap water, DI water, seawater, surface water, and ultra-pure water) on the Congo red decolorization, total organic carbon, and chemical oxygen demand removal efficacy has been assessed using Fe-TiO2 nanotubes as a photocatalyst. The photocatalytic degradation rate decreased in unclean water due to the interferences of dissolved organics and minerals. However, all the environmental water matrices depict the significant decrease in turbidity and conductivity after treating with photocatalytic process. The photoactivity and capacity for decantation are the two crucial elements that have an impact on the "practical efficiency" of photocatalysts. Moreover, the textile wastewater contains a large quantity of dyes mixed with number of detrimental chemicals and other effluents discharged into the water which consequently pollute ecosystem and cause serious risks to human health. For environmental applications, we investigated individually the impact of various harmful chemicals commonly discharged from each step of textile wet processing which can have inhibiting or promoting effect on the azo dye photocatalytic degradation.


Assuntos
Nanotubos , Poluentes Químicos da Água , Catálise , Corantes , Ecossistema , Humanos , Indústria Têxtil , Têxteis , Titânio , Água , Poluentes Químicos da Água/análise
14.
Sci Rep ; 11(1): 5439, 2021 03 08.
Artigo em Inglês | MEDLINE | ID: mdl-33686116

RESUMO

In this paper, Jr.NiFe2O4 nanoparticles (NPs) were synthesized first time using the leaves extract of Juglans regia via a straightforward process. The physio and phytochemical analysis of plant confirm the presence of macromolecules which function as bio-reductant and stabilize the nanoparticles. The Jr.NiFe2O4 NPs were characterized by UV-visible, FTIR spectroscopy, PXRD pattern, SEM and TGA/DTA analysis. The nanoparticles proved to be optically active having a value of indirect bandgap of energy in the range of 1.53 eV. The Jr.NiFe2O4 NPs have the ability in scavenging 2,2-diphenyl-1-picrylhydrazyl hydrate (DPPH) free radicals and showed 58.01% ± 1.2% scavenging activity at 100 µg/mL concentrations. The photocatalytic degradation study of ciprofloxacin (CIP) and Congo red (CR) reveals that the highest degradation rate was acquired for CIP using pH = 3, at 254 nm, while 85% of removal rate was analysed for CR. The kinetic studies in case of CR removal followed pseudo-first-order model with thermodynamic parameters (∆G° = - 5.87 kJ mol-1 K, ΔH° = 1393.50 kJ mol-1 and ΔS° = 22.537 kJ mol-1 K) with error analysis. Overall, these data recommend an innovative inspiring application of a plant-mediated synthesis of Jr.NiFe2O4 NPs.

15.
GM Crops Food ; 12(1): 1-17, 2021 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-32762312

RESUMO

A biophysical survey was conducted in 15 cotton-growing districts of Pakistan. Four hundred cotton growers were approached and inquired about the production technology of Bt cotton. Further, 25 strip tests using combo strips (Cry1Ac, Cry2Ab, Vip3Aa and Cp4, EPSPS gene) were performed at each farmer's field. Out of 10,000 total-tested samples, farmers claimed 9682 samples as Bt and 318 samples as non-Bt. After performing a strip test, 1009 and 87 samples were found false negative and false positive, respectively. Only 53 samples were found positive for Cry2Ab, 214 for EPSPS and none for Vip3Aa gene. Quantification of Cry endotoxin and bioassay studies were performed by taking leaves from upper, middle, and lower canopies, and fruiting parts at approximately 80 days after sowing from 89 varieties. Expression was highly variable among different canopies and fruiting parts. Moreover, Cry endotoxin expression and insect mortality varied significantly among varieties from 0.26 µg g-1 to 3.54 µg g-1 with mortality ranging from 28 to 97%, respectively. Highest Cry1Ac expression (3.54 µg g-1) and insect mortality (97%) were observed for variety FH-142 from DG Khan. Cry endotoxin expression varied significantly across various plant parts, i.e., IUB-13 variety from upper canopy documented 0.34 µg g-1 expression with 37% insect mortality in Layyah to 3.42 µg g-1 expression and 96% insect mortality from DG Khan. Lethal dose, LD95 (2.20 µg g-1) of Cry1Ac endotoxin was optimized for effective control of H. armigera. Our results provided evidence of practical resistance in H. armigera and way forward.


Assuntos
Proteínas Hemolisinas/genética , Mariposas , Animais , Proteínas de Bactérias/genética , Endotoxinas , Gossypium , Resistência a Inseticidas , Larva , Paquistão , Plantas Geneticamente Modificadas
16.
Front Nutr ; 7: 580715, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33123549

RESUMO

Puccinia striiformis (Pst) is a devastating biotrophic fungal pathogen that causes wheat stripe rust. It usually loves cool and moist places and can cause 100% crop yield losses in a single field when ideal conditions for disease incidence prevails. Billions of dollars are lost due to fungicide application to reduce stripe rust damage worldwide. Pst is a macrocyclic, heteroecious fungus that requires primary (wheat or grasses) as well as secondary host (Berberis or Mahonia spp.) for completion of life cycle. In this review, we have summarized the knowledge about pathogen life cycle, genes responsible for stripe rust resistance, and susceptibility in wheat. In the end, we discussed the importance of conventional and modern breeding tools for the development of Pst-resistant wheat varieties. According to our findings, genetic engineering and genome editing are less explored tools for the development of Pst-resistant wheat varieties; hence, we highlighted the putative use of advanced genome-modifying tools, i.e., base editing and prime editing, for the development of Pst-resistant wheat.

17.
J Pak Med Assoc ; 70(9): 1582-1586, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33040113

RESUMO

OBJECTIVE: To study correlation of various complete blood count variables with one another and to ascertain the values of intercept and slope among those having strong correlation. METHODS: The cross-sectional study was conducted in Marach 2017 in the Rabwah town of Punjab province in Pakistan, and comprised randomly selected one in four children studying under the Nazrat Taleem School System. Serum sample from each subject was used to analyse complete blood count on an automated analyser, and ferritin levels were checked by enzyme-linked immunosorbent assay. SPSS20 was used for data analysis. RESULTS: There were 299 children with a median age of 67 months. Mean haemoglobin level was 12.09±0.82gm/dl. There was a very strong positive correlation between haemoglobin and haematocrit; mean corpuscular volume; and red cell distribution width; mean corpuscular volume and mean corpuscular haemoglobin; red cell distribution width and mean corpuscular haemoglobin (p<0.001).Moderate positive correlation was found between haemoglobin and red blood cell count; haematocrit and red blood cell count; mean corpuscular haemoglobin and mean corpuscular haemoglobin concentration (p<0.05). Moderate negative correlation was present between red blood cell count and mean corpuscular volume; red blood cell count and red cell distribution width; red blood cell count and mean corpuscular haemoglobin (p<0.05). CONCLUSIONS: There were strong to moderate correlation between various complete blood count variables in the studied population. Ferritin level was the only variable which did not have any correlation with any of the other variables.


Assuntos
Índices de Eritrócitos , Hemoglobinas , Criança , Pré-Escolar , Estudos Transversais , Ferritinas , Hemoglobinas/metabolismo , Humanos , Paquistão/epidemiologia , Instituições Acadêmicas
18.
Curr Comput Aided Drug Des ; 16(4): 420-434, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32883197

RESUMO

BACKGROUND: Parkinson's disease is characterized by decreased level of dopaminergic neurotransmitters and this decrease is due to the degradation of dopamine by protein Monoamine Oxidase B (MAO-B). In order to treat Parkinson's disease, MAO-B should be inhibited. OBJECTIVE: To find out the novel phytochemicals from plant Ocimum basilicum that can inhibit MAO-B by using the in silico methods. METHODS: The data of chemical constituents from plant Ocimum basilicum was collected and inhibitory activity of these phytochemicals was then predicted by using the Structure-Based (SB) and Ligand-Based Virtual Screening (LBVS) methods. Molecular docking, one of the common Structure-Based Virtual Screening method, has been used during this search. Traditionally, molecular docking is used to predict the orientation and binding affinity of the ligand within the active site of the protein. Molegro Virtual Docker (MVD) software has been used for this purpose. On the other hand, Random Forest Model, one of the LBVS method, has also been used to predict the activity of these chemical constituents of Ocimum basilicum against the MAO-B. RESULTS: During the docking studies, all the 108 compounds found in Ocimum basilicum were docked within the active site of MAO-B (PDB code: 4A79) out of which, 57 compounds successfully formed the hydrogen bond with tyr 435, a crucial amino acid for the biological activity of the enzyme. Rutin (-182.976 Kcal/mol), Luteolin (-163.171 Kcal/mol), Eriodictyol-7-O-glucoside (- 160.13 Kcal/mol), Rosmarinic acid (-133.484 Kcal/mol) and Isoquercitrin (-131.493 Kcal/mol) are among the top hits with the highest MolDock score along with hydrogen interaction with tyr 435. Using the RF model, ten compounds out of 108 chemical constituent of Ocimum basilicum were predicted to be active, Apigenin (1.0), Eriodictyol (1.0), Orientin (0.876), Kaempferol (0.8536), Luteolin (0.813953) and Rosmarinic-Acid (0.7738095) are predicted to be most active with the highest RF score. CONCLUSION: The comparison of the two screening methods show that the ten compounds that were predicted to be active by the RF model, are also found in top hits of docking studies with the highest score. The top hits obtained during this study are predicted to be the inhibitor of MAO-B, thus, could be used further for the development of drugs for the treatment of Parkinson's disease (PD).


Assuntos
Antiparkinsonianos/farmacologia , Inibidores da Monoaminoxidase/farmacologia , Monoaminoxidase/metabolismo , Ocimum basilicum/química , Compostos Fitoquímicos/farmacologia , Antiparkinsonianos/química , Descoberta de Drogas , Humanos , Simulação de Acoplamento Molecular , Inibidores da Monoaminoxidase/química , Doença de Parkinson/tratamento farmacológico , Doença de Parkinson/metabolismo , Compostos Fitoquímicos/química
19.
Artigo em Inglês | MEDLINE | ID: mdl-32733814

RESUMO

NK cells regulate CD4+ and CD8+ T cells in acute viral infection, vaccination, and the tumor microenvironment. NK cells also become exhausted in chronic activation settings. The mechanisms causing these ILC responses and their impact on adaptive immunity are unclear. CD8+ T cell exhaustion develops during chronic Toxoplasma gondii (T. gondii) infection resulting in parasite reactivation and death. How chronic T. gondii infection impacts the NK cell compartment is not known. We demonstrate that NK cells do not exhibit hallmarks of exhaustion. Their numbers are stable and they do not express high PD1 or LAG3. NK cell depletion with anti-NK1.1 is therapeutic and rescues chronic T. gondii infected mice from CD8+ T cell exhaustion dependent death, increases survival after lethal secondary challenge and alters cyst burdens in brain. Anti-NK1.1 treatment increased polyfunctional CD8+ T cell responses in spleen and brain and reduced CD8+ T cell apoptosis in spleen. Chronic T. gondii infection promotes the development of a modified NK cell compartment, which does not exhibit normal NK cell characteristics. NK cells are Ly49 and TRAIL negative and are enriched for expression of CD94/NKG2A and KLRG1. These NK cells are found in both spleen and brain. They do not produce IFNγ, are IL-10 negative, do not increase PDL1 expression, but do increase CD107a on their surface. Based on the NK cell receptor phenotype we observed NKp46 and CD94-NKG2A cognate ligands were measured. Activating NKp46 (NCR1-ligand) ligand increased and NKG2A ligand Qa-1b expression was reduced on CD8+ T cells. Blockade of NKp46 rescued the chronically infected mice from death and reduced the number of NKG2A+ cells. Immunization with a single dose non-persistent 100% protective T. gondii vaccination did not induce this cell population in the spleen, suggesting persistent infection is essential for their development. We hypothesize chronic T. gondii infection induces an NKp46 dependent modified NK cell population that reduces functional CD8+ T cells to promote persistent parasite infection in the brain. NK cell targeted therapies could enhance immunity in people with chronic infections, chronic inflammation and cancer.


Assuntos
Toxoplasma , Toxoplasmose , Animais , Linfócitos T CD8-Positivos , Células Matadoras Naturais , Camundongos , Baço
20.
Toxicol Res (Camb) ; 9(3): 212-221, 2020 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-32670552

RESUMO

Pest management in stored grain industry is a global issue due to the development of insecticide resistance in stored grain insect pests. Excessive use of insecticides at higher doses poses a serious threat of food contamination and residual toxicity for grain consumers. Since the development of new pesticide incurs heavy costs, identifying an effective synergist can provide a ready and economical tool for controlling resistant pest populations. Therefore, the synergistic property of quercetin with paraoxon and tetraethyl pyrophosphate has been evaluated against the larvae and adults of Tribolium castaneum (Herbst). Comparative molecular docking analyses were carried out to further identify the possible mechanism of synergism. It was observed that quercetin has no insecticidal when applied at the rate of 1.5 and 3.0 mg/g; however, a considerable synergism was observed when applied in combination with paraoxon. The comparative molecular docking analyses of CYP450 monooxygenase (CYP15A1, CYP6BR1, CYP6BK2, CYP6BK3) family were performed with quercetin, paraoxon and tetraethyl pyrophosphate which revealed considerable molecular interactions, predicting the inhibition of CYP450 isoenzyme by all three ligands. The study concludes that quercetin may be an effective synergist for organophosphate pesticides depending upon the dose and type of the compound. In addition, in silico analyses of the structurally diversified organophosphates can effectively differentiate the organophosphates which are synergistic with quercetin.

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