Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 18 de 18
Filtrar
1.
Environ Res ; 251(Pt 1): 118569, 2024 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-38431069

RESUMO

Topography of a place has a significant impact on soil characteristics that ultimately influence soil iodine levels. Lower Himalayan region (LHR) in Pakistan has a wide range of climatic and geological variations. Hence, an investigation was conducted to analyze the iodine concentration and other physicochemical properties of soils in two LHR districts, Haripur and Mansehra. Spatial analysis indicated a decrease in iodine levels in the mountainous regions in comparison to the flat portions of LHR. Soil samples obtained from different locations across Haripur had a stronger affinity for iodine due to variations in solubility and adsorption of iodine to soil clay components, which can be attributed to lower pH, higher organic matter, and a higher cation exchange capacity (CEC). In contrast to the plains of Haripur, elevated locations in the Mansehra district had decreased levels of iodine, along with a higher soil pH and reduced soil organic matter. The soil erosion and depletion of soil micronutrients in the hilly region of Mansehra may be attributed to the unfavorable soil conditions and excessive precipitation. Presence of clay, iron (Fe), and aluminum (Al) in the soil led to a rise in iodine levels. Iodine concentrations exhibited an inverse relationship with soil acidity. Study revealed a direct correlation between soil iodine levels and their cation exchange capacity (CEC) and clay content. This study aims to gather fundamental data for the chosen regions of LHR to address illnesses caused by iodine deficiency.


Assuntos
Iodo , Solo , Solo/química , Iodo/análise , Iodo/química , Paquistão , Concentração de Íons de Hidrogênio
2.
Biotechnol Appl Biochem ; 71(2): 402-413, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38287712

RESUMO

Malonyl-CoA serves as the main building block for the biosynthesis of many important polyketides, as well as fatty acid-derived compounds, such as biofuel. Escherichia coli, Corynebacterium gultamicum, and Saccharomyces cerevisiae have recently been engineered for the biosynthesis of such compounds. However, the developed processes and strains often have insufficient productivity. In the current study, we used enzyme-engineering approach to improve the binding of acetyl-CoA with ACC. We generated different mutations, and the impact was calculated, which reported that three mutations, that is, S343A, T347W, and S350W, significantly improve the substrate binding. Molecular docking investigation revealed an altered binding network compared to the wild type. In mutants, additional interactions stabilize the binding of the inner tail of acetyl-CoA. Using molecular simulation, the stability, compactness, hydrogen bonding, and protein motions were estimated, revealing different dynamic properties owned by the mutants only but not by the wild type. The findings were further validated by using the binding-free energy (BFE) method, which revealed these mutations as favorable substitutions. The total BFE was reported to be -52.66 ± 0.11 kcal/mol for the wild type, -55.87 ± 0.16 kcal/mol for the S343A mutant, -60.52 ± 0.25 kcal/mol for T347W mutant, and -59.64 ± 0.25 kcal/mol for the S350W mutant. This shows that the binding of the substrate is increased due to the induced mutations and strongly corroborates with the docking results. In sum, this study provides information regarding the essential hotspot residues for the substrate binding and can be used for application in industrial processes.


Assuntos
Acetil-CoA Carboxilase , Streptomyces antibioticus , Acetil-CoA Carboxilase/genética , Acetil-CoA Carboxilase/metabolismo , Streptomyces antibioticus/metabolismo , Acetilcoenzima A/genética , Simulação de Acoplamento Molecular , Mutação , Saccharomyces cerevisiae/metabolismo , Escherichia coli/metabolismo
3.
Chem Biodivers ; 21(6): e202301858, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38608202

RESUMO

Limeum indicum has been widely utilized in traditional medicine but no experimental work has been done on this herb. The primary objective of this study was to conduct a phytochemical analysis and assess the multifunctional capabilities of aforementioned plant in dual therapy for Alzheimer's disease (AD) and Type 2 diabetes (T2D). The phytochemical screening of ethanol, methanol extract, and their derived fractions of Limeum indicum was conducted using GC-MS, HPLC, UV-analysis and FTIR. The antioxidant capacity was evaluated by DPPH method. The inhibitory potential of the extracts/fractions against α-, ß-glucosidase acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and monoaminine oxidases (MAO-A & B) was evaluated. Results revealed that acetonitrile fraction has highest inhibitory potential against α-glucosidase (IC50=68.47±0.05 µg/mL), methanol extract against ß-glucosidase (IC50=91.12±0.07 µg/mL), ethyl acetate fraction against AChE (IC50=59.0±0.02 µg/mL), ethanol extract against BChE (28.41±0.01 µg/mL), n-hexane fraction against MAO-A (IC50=150.5±0.31 µg/mL) and methanol extract for MAO-B (IC50=75.95±0.13 µg/mL). The docking analysis of extracts\fractions suggested the best binding scores within the active pocket of the respective enzymes. During the in-vivo investigation, ethanol extract produced hypoglycemic effect (134.52±2.79 and 119.38±1.40 mg/dl) after 21 days treatment at dose level of 250 and 500 mg/Kg. Histopathological findings further supported the in-vivo studies.


Assuntos
Acetilcolinesterase , Doença de Alzheimer , Butirilcolinesterase , Cromatografia Gasosa-Espectrometria de Massas , Hipoglicemiantes , Simulação de Acoplamento Molecular , Monoaminoxidase , Compostos Fitoquímicos , Extratos Vegetais , Doença de Alzheimer/tratamento farmacológico , Doença de Alzheimer/metabolismo , Animais , Compostos Fitoquímicos/química , Compostos Fitoquímicos/farmacologia , Compostos Fitoquímicos/isolamento & purificação , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Extratos Vegetais/isolamento & purificação , Acetilcolinesterase/metabolismo , Butirilcolinesterase/metabolismo , Hipoglicemiantes/química , Hipoglicemiantes/farmacologia , Hipoglicemiantes/isolamento & purificação , Monoaminoxidase/metabolismo , Diabetes Mellitus Tipo 2/tratamento farmacológico , Diabetes Mellitus Experimental/tratamento farmacológico , Inibidores da Colinesterase/química , Inibidores da Colinesterase/farmacologia , Inibidores da Colinesterase/isolamento & purificação , Antioxidantes/farmacologia , Antioxidantes/química , Antioxidantes/isolamento & purificação , Masculino , alfa-Glucosidases/metabolismo , Ratos , beta-Glucosidase/antagonistas & inibidores , beta-Glucosidase/metabolismo , Humanos
4.
Saudi Pharm J ; 32(6): 102096, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38757071

RESUMO

The aim of the current study was to explore the potential of human plasma-derived exosomes as versatile carriers for drug delivery by employing various active and passive loading methods. Exosomes were isolated from human plasma using differential centrifugation and ultrafiltration method. Drug loading was achieved by employing sonication and freeze thaw methods, facilitating effective drug encapsulation within exosomes for delivery. Each approach was examined for its effectiveness, loading efficiency and ability to preserve membrane stability. Methotrexate (MTX), a weak acid model drug was loaded at a concentration of 2.2 µM to exosomes underwent characterization using various techniques such as particle size analysis, transmission electron microscopy and drug loading capacity. Human plasma derived exosomes showed a mean size of 162.15 ± 28.21 nm and zeta potential of -30.6 ± 0.71 mV. These exosomes were successfully loaded with MTX demonstrated a better drug encapsulation of 64.538 ± 1.54 % by freeze thaw method in comparison 55.515 ± 1.907 % by sonication. In-vitro drug release displayed 60 % loaded drug released within 72 h by freeze thaw method that was significantly different from that by sonication method i.e., 99 % within 72 h (p value 0.0045). Moreover, cell viability of exosomes loaded by freeze thaw method was significantly higher than that by sonication method (p value 0.0091) suggested that there was membrane disruption by sonication method. In conclusion, this study offers valuable insights into the potential of human plasma-derived exosomes loaded by freeze thaw method suggest as a promising carrier for improved drug loading and maintenance of exosomal membrane integrity.

5.
Heliyon ; 10(1): e23791, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-38226222

RESUMO

Infrastructure and geography are the most important components of international trade. They provide trade-oriented amenities for the trade volume among trading partners. Thus, this study assesses the simultaneous impact of infrastructure and geographic factors on trade in Asian economies from 2004 to 2020. This work contributes to the existing literature by exploring the significance of infrastructure and geography in international trade. Furthermore, this research seeks to determine whether these factors have complementary or simultaneous effects. To examine these aspects, the augmented gravity model and cross-sectional autoregressive distributed lags are used in the current model. Then, the multilateral resistance terms are corrected. Results reveal that infrastructure has a significant and positive impact on trade. More precisely, transport infrastructure, communication infrastructure, financial infrastructure, and border-transport efficiency are productive influencers for trade over a certain period. Notably, the simultaneous impacts of infrastructure and geographic factors can lead to the deterioration of trade volume. The policy implications and future research direction of this study suggest that economies should improve infrastructure and geographic factors through gross domestic product.

6.
Korean J Gastroenterol ; 83(2): 54-60, 2024 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-38389461

RESUMO

Background/Aims: Achalasia is an esophageal motility disorder characterized by dysphagia and noncardiac chest pain. Impairment of vagal function has been reported in achalasia. This study evaluated autonomic nervous system (ANS) dysfunctions in patients with achalasia to establish a correlation between an ANS dysfunction and the clinical symptoms of achalasia. Methods: Nineteen patients with achalasia (six males/13 females; mean age, 47.1±16.3 years) and 10 healthy controls (four males/six females; 34.8±10.7 years) were enrolled prospectively at Gangnam Severance Hospital between June 2013 and June 2014. All patients completed a questionnaire on ANS dysfunction symptoms and underwent a heart rate variability (HRV) test. Results: ANS dysfunction symptoms were present in 13 patients with achalasia (69%) and three controls (30%). The ANS dysfunction score was significantly higher in patients with achalasia than in the controls (p=0.035). There were no significant differences in the standard deviation of all normal R-R intervals, high frequency (HF), low frequency (LF), and LF/HF ratio in the HRV test. In subgroup analysis comparing female achalasia patients with controls, the cardiac activity was significantly higher in the female achalasia patients than in the controls (p=0.036). The cardiac activity (p=0.004) and endurance to stress (p=0.004) were significantly higher in the achalasia patients with ANS dysfunction symptoms than the achalasia patients without ANS dysfunction symptoms. Conclusions: ANS dysfunction symptoms are common in patients with achalasia. Female achalasia patients and those with ANS dysfunction symptoms showed increased cardiac activity. Hence, more attention should be paid to cardiac overload in achalasia patients who are female or have ANS dysfunction symptoms.


Assuntos
Sistema Nervoso Autônomo , Acalasia Esofágica , Masculino , Humanos , Feminino , Adulto , Pessoa de Meia-Idade , Sistema Nervoso Autônomo/fisiologia , Acalasia Esofágica/complicações , Acalasia Esofágica/diagnóstico , Coração , Frequência Cardíaca/fisiologia
7.
RSC Adv ; 14(13): 8905-8920, 2024 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-38495980

RESUMO

Alzheimer's disease (AD) is a multifactorial irreversible neurological disorder with multiple enzymes involved. In the treatment of AD, multifunctional agents targeting cholinesterase (ChE) and monoamine oxidase (MAO) inhibitors have shown promising results. Herein, a series of novel quinoline-sulfonamides (a1-18) were designed and synthesized as a dual inhibitor of MAOs and ChEs. The in vitro results showed that compounds a5, a12, a11, and a6 exhibited the most potent compounds against specific enzymes. They had IC50 value 0.59 ± 0.04 for MAO-A, 0.47 ± 0.03 for MAO-B, 0.58 ± 0.05 for BChE and 1.10 ± 0.77 for AChE µM respectively. Furthermore, kinetic studies revealed that these compounds are competitive. Molecular docking studies enhanced the understanding of the in silico component, unveiling critical interactions, specifically the hydrogen bonding interaction, π-π, π-alkyl, π-amid and π-sulfur interactions between the ligand and enzymes. These findings suggest that compounds a5, a6, a11, a12, a15, and a18 may be potent multifunctional candidates for AD treatment.

8.
Sci Rep ; 14(1): 18959, 2024 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-39147795

RESUMO

Belief and plausibility functions based on evidence theory (ET) have been widely used in managing uncertainty. Various generalizations of ET to fuzzy sets (FSs) have been reported in the literature, but no generalization of ET to q-rung orthopair fuzzy sets (q-ROFSs) has been made yet. Therefore, this paper proposes a novel, simple, and intuitive approach to distance and similarity measures for q-ROFSs based on belief and plausibility functions within the framework of ET. This research addresses a significant research gap by introducing a comprehensive framework for handling uncertainty in q-ROFSs using ET. Furthermore, it acknowledges the limitations inherent in the current state of research, notably the absence of generalizations of ET to q-ROFSs and the challenges in extending belief and plausibility measures to certain aggregation operators and other generalizations including Hesitant fuzzy sets, Bipolar fuzzy sets, Fuzzy soft sets etc. Our contribution lies in the proposal of a novel approach to distance and similarity measures for q-ROFSs under ET, utilizing Orthopairian belief and plausibility intervals (OBPIs). We establish new similarity measures within the generalized ET framework and demonstrate the reasonability of our method through useful numerical examples. Additionally, we construct Orthopairian belief and plausibility GRA (OBP-GRA) for managing daily life complex issues, particularly in multicriteria decision-making scenarios. Numerical simulations and results confirm the usability and practical applicability of our proposed method in the framework of ET.

9.
Plant Methods ; 20(1): 111, 2024 Jul 25.
Artigo em Inglês | MEDLINE | ID: mdl-39054477

RESUMO

Clematis graveolens Lindl., an indigenous climbing plant found in the Himalayan areas, is used by local communities for the treatment of neck tumors. The objective of this work is to examine the comprehensive metabolomic profile, antioxidant capability, in vitro and in silico anti-glioma effects on U-87 human glioma cell lines of the crude extract and fractions from C. graveolens. Liquid chromatography coupled with mass spectroscopy (LC-MS/MS) was used to establish detailed metabolite profiling of C. graveolens. The assessment of cell cytotoxicity was conducted using MTT cell viability assay on U-87 and BHK-21. Through molecular docking studies, the mode of inhibition and binding interaction between identified compounds and target proteins were also determined to evaluate the in vitro results. The use of LC-MS/MS-based global natural products social (GNPS) molecular networking analysis resulted in the identification of 27 compounds. The crude extract, ethyl acetate fraction, and chloroform fraction exhibited significant inhibitory activity against the U-87 cell lines, with IC50 values of 112.0, 138.1, and 142.7 µg/mL, respectively. The ethyl acetate fraction exhibited significant inhibitory concentration for 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) activity, 2,2-diphenyl-1-picrylhydrazyl (DPPH) activity and the metal chelation activity with IC50 value of 39.50 µg/mL, 32.27 µg/mL, and 53.46 µg/mL, respectively. The crude extract showed maximum total phenolic, and total flavonoid concentration measuring 338.7 µg GAE/mg, and 177.04 µg QE/mg, respectively. The findings of this study indicate that C. graveolens consists of a diverse range of active phytoconstituents that possess antioxidant and anti-glioma properties.

10.
Int J Biol Macromol ; 266(Pt 2): 131068, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38531526

RESUMO

An extensive range of new biologically active morpholine based thiosemicarbazones derivatives 3a-r were synthesized, characterized by spectral techniques and evaluated as inhibitors of ENPP isozymes. Most of the novel thiosemicarbazones exhibit potent inhibition towards NPP1 and NPP3 isozymes. Compound 3 h was potent inhibitor of NPP1 with IC50 value of 0.55 ±â€¯0.02. However, the most powerful inhibitor of NPP3 was 3e with an IC50 value of 0.24 ±â€¯0.02. Furthermore, Lineweaver-Burk plot for compound 3 h against NPP1 and for compound 3e against NPP3 was devised through enzymes kinetics studies. Molecular docking and in silico studies was also done for analysis of interaction pattern of all newly synthesized compounds. The results were further validated by molecular dynamic (MD) simulation where the stability of conformational transformation of the best protein-ligand complex (3e) were justified on the basis of RMSD and RMSF analysis.


Assuntos
Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Morfolinas , Diester Fosfórico Hidrolases , Pirofosfatases , Tiossemicarbazonas , Morfolinas/química , Morfolinas/farmacologia , Morfolinas/síntese química , Diester Fosfórico Hidrolases/química , Diester Fosfórico Hidrolases/metabolismo , Pirofosfatases/antagonistas & inibidores , Pirofosfatases/química , Pirofosfatases/metabolismo , Tiossemicarbazonas/química , Tiossemicarbazonas/farmacologia , Tiossemicarbazonas/síntese química , Humanos , Cinética , Inibidores de Fosfodiesterase/química , Inibidores de Fosfodiesterase/farmacologia , Inibidores de Fosfodiesterase/síntese química , Simulação por Computador , Relação Estrutura-Atividade , Ligantes
11.
Colloids Surf B Biointerfaces ; 242: 114090, 2024 Jul 14.
Artigo em Inglês | MEDLINE | ID: mdl-39018909

RESUMO

Curcumin (CUR) exhibits anti-inflammatory and anti-cancer activities. However, its poor solubility and bioavailability limit its therapeutic applications. Several CUR nano-formulations have been developed to enhance its solubility and uptake, thereby improving its anti-cancer activity. Despite this, studies comparing the effect of enhanced CUR solubility versus cellular uptake on its anti-cancer efficacy are lacking. Therefore, CUR nanofibers (CUR NF) were synthesized by electrospinning using a water-soluble polymer to enhance CUR solubility. While CUR nanoparticles (CUR NP) were synthesized by nanoprecipitation method using a water-insoluble polymer to enhance CUR cellular uptake. Both nano-formulations aim to improve CUR cellular concentration and anti-cancer activity against various cancer cells. CUR NF and CUR NP were successfully synthesized at drug load (DL%) of 10 %, 20 %, and 40 % w/w. Both nano-formulations were characterized, and CUR dissolution, release, cytotoxicity, IC50, and cellular uptake were assessed. A gradual increase in NF diameter and NP size was observed as the drug load% increased compared to the placebo. NF showed a rapid CUR release and increased solubility by 16-38 fold. In contrast, NP sustained CUR release and resulted in only a 2-fold increase in solubility. Both formulations significantly reduced cell viability and IC50 compared to free CUR. However, CUR NP demonstrated higher cell toxicity (70-80 %) than CUR NF (60 %) and reduced IC50 up to 4 µM compared to 11 µM for NF. Enhancing CUR solubility or uptake can significantly increase its cellular concentration and anti-cancer activity. However, enhancing CUR cellular uptake by NP demonstrated superior anti-cancer effect compared to enhancing its solubility by NF.

12.
Int J Nanomedicine ; 19: 8373-8400, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39161363

RESUMO

Despite all major advancements in drug discovery and development in the pharmaceutical industry, cancer is still one of the most arduous challenges for the scientific community. The implications of nanotechnology have certainly resolved major issues related to conventional anticancer modalities; however, the undesired recognition of nanoparticles (NPs) by the mononuclear phagocyte system (MPS), their poor stability in biological fluids, premature release of payload, and low biocompatibility have restricted their clinical translation. In recent decades, chitosan (CS)-based nanodelivery systems (eg, polymeric NPs, micelles, liposomes, dendrimers, conjugates, solid lipid nanoparticles, etc.) have attained promising recognition from researchers for improving the pharmacokinetics and pharmacodynamics of chemotherapeutics. However, the specialty of this review is to mainly focus on and critically discuss the targeting potential of various CS-based NPs for treatment of different types of cancer. Based on their delivery mechanisms, we classified CS-based NPs into stimuli-responsive, passive, or active targeting nanosystems. Moreover, various functionalization strategies (eg, grafting with polyethylene glycol (PEG), hydrophobic substitution, tethering of stimuli-responsive linkers, and conjugation of targeting ligands) adapted to the architecture of CS-NPs for target-specific delivery of chemotherapeutics have also been considered. Nevertheless, CS-NPs based therapeutics hold great promise for improving therapeutic outcomes while mitigating the off-target effects of chemotherapeutics, a long-term safety profile and clinical testing in humans are warranted for their successful clinical translation.


Assuntos
Antineoplásicos , Quitosana , Nanopartículas , Neoplasias , Humanos , Quitosana/química , Neoplasias/tratamento farmacológico , Nanopartículas/química , Antineoplásicos/química , Antineoplásicos/farmacologia , Antineoplásicos/administração & dosagem , Antineoplásicos/farmacocinética , Animais , Portadores de Fármacos/química , Portadores de Fármacos/farmacocinética , Sistemas de Liberação de Medicamentos/métodos , Nanomedicina/métodos
13.
Pharmaceuticals (Basel) ; 17(7)2024 Jul 08.
Artigo em Inglês | MEDLINE | ID: mdl-39065758

RESUMO

Silver oxide (Ag2O) particles are wonderful candidates due to their unique properties, and their use in a wide range of research, industrial and biomedical applications is rapidly increasing. This makes it fundamental to develop simple, environmentally friendly methods with possible scaling. Herein, sodium borohydride and Datura innoxia leaf extract were applied as chemical and biological stabilizing and reducing agents to develop Ag2O particles. The primary aim was to evaluate the anticancer and antiviral activity of Ag2O particles prepared via two methods. XRD, UV-visible and SEM analyses were used to examine the crystallite structure, optical properties and morphology, respectively. The resulting green-synthesized Ag2O particles exhibited small size, spherically agglomerated shape, and high anticancer and antiviral activities compared to chemically synthesized Ag2O particles. The MTT (3-(4,5-dimethylthiazol-2-yl)-2,5 diphenyltetrazolium-bromide) assay of green-synthesized Ag2O particles showed high anticancer activity against MCF-7 cells with IC50 = 17.908 µg/mL compared to chemically synthesized Ag2O particles with IC50 = 23.856 µg/mL. The antiviral activity of green-synthesized Ag2O particles and chemically synthesized Ag2O particles was also evaluated by a plaque-forming assay, and green-synthesized Ag2O particles showed higher antiviral ability with IC50 = 0.618 µg/mL as compared to chemically synthesized Ag2O particles with IC50 = 6.129 µg/mL. We propose the use of green-synthesized Ag2O particles in cancer treatment and drug delivery.

14.
Adv Healthc Mater ; : e2304668, 2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38925602

RESUMO

Healing bone erosions in rheumatoid arthritis (RA) remains greatly challenging via biomaterial strategies. Given the unsuccessful innate bone erosion healing due to an inflammatory disorder, over-activated osteoclasts, and impaired osteoblasts differentiation, RA pathogenesis-guided engineering of an innovative hydrogel platform is needed for remodeling osteoimmune and osteogenic microenvironment of bone erosion healing. Herein, in situ adaptable and injectable interpenetrating polymer network (IPN) hydrogel is developed through an ingenious combination of a bio-orthogonal reaction between hyaluronic acid (HA) and collagen, along with effective electrostatic interactions leveraging bisphosphonate (BP)-functionalized HA macromers (HABP) and nanorod shaped zinc (Zn)-doped biphasic calcium phosphate (ZnBCP). IPN hydrogel exhibits exceptional adaptability to the local shape complexity at bone erosions, and by integrating ZnBCP and HABP, a multi-stage releasing platform is engineered, facilitating controlled cargo delivery for remodeling more anti-inflammatory M2 cells and reducing over-activated osteoclastic activities, thereby reconstructing the bone regeneration microenvironment. Sustainedly co-delivering multiple ions (calcium and phosphate) can display excellent osteogenic properties and be conducive to the bone formation process, by effects of osteogenesis-associated cell differentiation. Overall, the introduced bioactive IPN hydrogel therapy remodels the osteoimmune environment by synergistic pro-inflammation-resolving, osteogenesis, and anti-osteoclastic activities, displaying excellent bone reconstruction in the collagen-induced arthritis rabbit model.

15.
J Biomol Struct Dyn ; : 1-15, 2024 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-38385459

RESUMO

The biofilm formation is still prevalent mechanism of developing the drug resistance in the Pseudomonas aeruginosa, gram-negative bacteria, known for its major role in nosocomial, ventilator-associated pneumonia (VAP), lung infections and catheter-associated urinary tract infections. As best of our knowledge, current study first time reports the most potent inhibitors of LasR, a transcriptional activator of biofilm and virulence regulating genes in, Pseudomonas aeruginosa LasR, utilizing newly functionalized imidazoles (5a-d), synthesized via 1,3-dipolar cycloaddition using click approach. The synthesized ligands were characterized through Mass Spectrometry and 1H NMR. The binding potency and mode of biding of ligands. Quantum Mechanical(QM) methods were utilized to investigate the electronic basis, HOMO/LUMO and dipole moment of the geometry of the ligands for their binding potency. Dynamics cross correlation matrix (DCCMs) and protein surface analysis were further utilized to explore the structural dynamics of the protein. Free energy of binding of ligands and protein were further estimated using Molecular Mechanical Energies with the Poisson-Boltzmann surface area (MMPBSA) method. Molecular Docking studies revealed significant negative binding energies (5a - 10.33, 5b -10.09, 5c - 10.11, and 5d -8.33 KJ/mol). HOMO/LUMO and potential energy surface map estimation showed the ligands(5a) with lower energy gaps and larger dipole moments had relatively larger binding potency. The significant change in the structural dynamics of LasR protein due to complex formation with newlyfunctionalized imidazoles ligands. Hydrogen bond surface analysis followed by MMPBSA calculations of free energy of binding further complemented the Molecular docking revelations showing the specifically ligand (5a) having the relatively higher energy of binding(-65.22kj/mol).Communicated by Ramaswamy H. Sarma.

18.
Biosci. j. (Online) ; 36(6): 1867-1878, 01-11-2020. tab, graf
Artigo em Inglês | LILACS | ID: biblio-1147948

RESUMO

Nutrient deficiency is a limiting factor in saline-sodic soils resulting in low crop production. The study investigated wheat response to P and K added to soils. The K was applied at 0 (K0), 75 (K1), 150 (K2) kg K2O ha-1 as K2S04 and at (0 (P0), 60 (P1), 120 (P2) kg P2O5 ha-1 as (NH4)2HPO4 in three replications under two-factorial randomized complete block (RCB) design. Both treatments significantly enhanced wheat grain (118%) and dry matter yield (60%) at P2K2 compared to control. The P treatments significantly affected leaf P, Mg, SO4, Ca:P, SO4:P ratios and soil P, Ca:P, Cl:P and SO4:P ratios, while K on leaf K, Na, Ca, SO4 concentration, K:Na, K:Ca, SO4:P,Ca:P ratios and soil pH, Na, K, Ca, SO4 concentrations, SAR, Na:K, Ca:K and Na:Ca ratios. Leaf Na was decreased to 85.3 mmol (+) kg-1 at K2 compared to 105.3 mmol (+) kg-1at P2K0. Negative correlation (R2=0.906) of leaf K:Na was found with leaf Na concentration. The correlation of dry matter was higher (R2=0.851) with leaf K:Na ratio than grain yield (R2=0.392). It is concluded that the addition of K and P addition shows beneficial effects in improving crop nutrition and wheat yield in the saline-sodic soil environment.


A deficiência de nutrientes é um fator limitante em solos salino-sódicos, resultando em baixa produção agrícola. O estudo investigou a resposta do trigo ao P e K adicionados ao solo. O K foi aplicado em 0 (K0), 75 (K1), 150 (K2) kg K2O ha-1 como K2S04 e em (0 (P0), 60 (P1), 120 (P2) kg P2O5 ha-1 como (NH4)2HPO4 em três repetições sob delineamento de blocos completos casualizados (RCB) de dois fatores. Ambos os tratamentos aumentaram significativamente o rendimento de grãos de trigo (118%) e de matéria seca (60%) em P2K2 em comparação com o controle. Os tratamentos com P afetaram significativamente o P foliar, Mg, SO4, as razões Ca:P, SO4:P e o P do solo, e as razões Ca:P, Cl:P e SO4:P, enquanto K no K foliar, Na, Ca, concentração de SO4, razões K:Na, K:Ca, SO4:P, Ca:P e pH do solo, Na, K, Ca, concentrações de SO4, SAR, razões Na:K, Ca:K e Na:Ca. O Na da folha foi reduzido para 85,3 mmol (+) kg-1 em K2 em comparação com 105,3 mmol (+) kg-1 em P2K0. Correlação negativa (R2 = 0,906) do K:Na na folha foi encontrada com a concentração de Na na folha. A correlação da matéria seca foi maior (R2 = 0,851) com a relação K:Na da folha do que rendimento de grãos (R2 = 0,392). Conclui-se que a adição de K e P apresenta efeitos benéficos na melhoria da nutrição da cultura e na produtividade do trigo em solo salino-sódico


Assuntos
Fósforo , Potássio , Triticum , Acidez do Solo , Zona Árida
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA