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1.
Environ Res ; 257: 119372, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-38852832

ABSTRACT

The reduction of carbon dioxide (CO2) and nitrogen (N2) to value-added products is a substantial area of research in the fields of sustainable chemistry and renewable energy that aims at reducing greenhouse gas emissions and the production of alternative fuels and chemicals. The current work deals with the synthesis of pyrochlore-type europium stannate (Eu2Sn2O7: EuSnO), tungsten disulfide (WS2:WS), and novel EuSnO/WS heterostructure by a simple and facile co-precipitation-aided hydrothermal method. Using different methods, the morphological and structural analyses of the prepared samples were characterized. It was confirmed that a heterostructure was formed between the cubic EuSnO and the layered WS. Synthesized materials were used for photocatalytic CO2 and N2 reduction under UV and visible light. The amount of CO and CH4 evolved due to CO2 reduction is high in EuSnO/WS (CO = 104, CH4 = 64 µmol h-1 g-1) compared to pure EuSnO (CO = 36, CH4 = 70 µmol h-1 g-1) and WS (CO = 22, CH4 = 1.8 µmol h-1 g-1) under visible light. The same trend was observed even in the N2 fixation reaction under visible light, and the amount of NH4+ produced was found to be 13, 26, and 41 µmol h-1 g-1 in the presence of WS, EuSnO and EuSnO/WS, respectively. Enhanced light-driven activity towards CO2 and N2 reduction reactions in EuSnO/WS is due to the efficient charge separation through the formation of type-II heterostructure, which is in part associated with photocurrent response, photoluminescence, and electrochemical impedence spectroscopic (EIS) results. The EuSnO/WS heterostructure's exceptional stability and reusability may pique the attention of pyrochlore-based composite materials in photocatalytic energy and environmental applications.


Subject(s)
Carbon Dioxide , Nitrogen Fixation , Carbon Dioxide/chemistry , Light , Europium/chemistry , Disulfides/chemistry , Oxidation-Reduction , Tungsten/chemistry , Catalysis , Tungsten Compounds/chemistry
2.
Bioorg Med Chem Lett ; 103: 129707, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38492608

ABSTRACT

The design and development of novel antimicrobial agents are highly desired to combat the emergence of medication resistance against microorganisms that cause infections. A series of new pyrimidine-linked thiazolidinedione derivatives (5a-j) were synthesized, characterized, and their antimicrobial properties assessed in the current investigation. Here, novel pyrimidine-linked thiazolidinedione compounds were designed using the molecular hybridization approach. Elemental and spectral techniques were used to determine the structures of the synthesized hybrids. The majority of compounds showed encouraging antibacterial properties. Among the active compounds, 5g, 5i, and 5j showed 1.85, 1.15, and 1.38 times the activity of streptomycin against S. aureus, respectively, with MIC values of 6.4, 10.3, and 8.6 µM. With MIC values of 10.8, 21.9, and 15.4 µM, respectively, the compounds 5g, 5i, and 5j showed 2.14, 1.05, and 1.50 times the activity of linezolid against the methicillin-resistant S. aureus (MRSA) strain. Furthermore, when compared to the reference medications, compounds 5g, 5i, and 5j demonstrated broad-range antimicrobial efficacy against all tested strains of bacteria and fungus. Out of all the compounds that were investigated, compounds 5g, 5i, and 5j showed noteworthy anti-tubercular activity. 5g is the most effective, 1.59 times more effective than reference drug isoniazid. To anticipate the binding manner, the synthesized potent compounds were subjected to molecular docking into the active binding site of MRSA and the mycobacterial membrane protein large 3 (MmpL3) protein. The compounds 5g, 5i, and 5j may eventually serve as lead compounds in the search for antimicrobial and anti-TB therapeutic agents.


Subject(s)
Anti-Infective Agents , Methicillin-Resistant Staphylococcus aureus , Thiazolidinediones , Antitubercular Agents , Molecular Docking Simulation , Staphylococcus aureus/metabolism , Structure-Activity Relationship , Anti-Infective Agents/pharmacology , Anti-Bacterial Agents/chemistry , Thiazolidinediones/pharmacology , Pyrimidines/pharmacology , Microbial Sensitivity Tests , Molecular Structure
3.
J Biomol Struct Dyn ; 42(7): 3307-3317, 2024 Apr.
Article in English | MEDLINE | ID: mdl-37261798

ABSTRACT

The promising quinazolinone-based pyridine derivatives (4a-j) were synthesized and subsequently tested for their antimycobacterial activities against the various drug-sensitive and drug-resistant Mycobacterium tuberculosis (Mtb) strains to combat infectious diseases and address growing concerns about the devastating effects of tuberculosis (TB). Utilizing 1H NMR, 13C NMR, and mass spectra, the structural and molecular confirmation of the synthesized compounds were deciphered. With minimum inhibitory concentration (MIC) values ranging from 0.31 to 19.13 µM, the results showed that compounds 4e and 4f showed promise anti-TB action against both drug-sensitive and drug-resistant TB strains. To study the cytotoxicity of synthesized molecules, normal Vero and mouse macrophage (RAW264.7) cell lines were utilized. Remarkably, it was revealed that at the highest concentration tested, none of the newly synthesized molecules were toxic to the Vero cell line. The binding patterns of the potent compounds 4b, 4e and 4f in the active site of the mycobacterial membrane protein Large 3 (MmpL3) protein are also revealed by molecular docking studies, which has contributed to the development of a structural rationale for Mtb inhibition. The physicochemical characteristics of the compounds were then predicted using theoretical calculations. Overall, the molecular docking results, physiochemical properties, and observed antimycobacterial activity all point to compound 4e with trifluoromethyl and compound 4f with nitro moiety as potential quinazolinone linked pyridine-based MmpL3 inhibitors.Communicated by Ramaswamy H. Sarma.


Subject(s)
Mycobacterium tuberculosis , Tuberculosis, Multidrug-Resistant , Tuberculosis , Animals , Mice , Molecular Docking Simulation , Antitubercular Agents/pharmacology , Antitubercular Agents/chemistry , Tuberculosis/microbiology , Pyridines/pharmacology , Microbial Sensitivity Tests , Structure-Activity Relationship
4.
Heliyon ; 9(9): e20300, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37809937

ABSTRACT

The in vitro anticancer efficacy of a new series of quinazoline-based thiazole derivatives was explored. Three cancer cell lines, MCF-7, HepG2, and A548, as well as the normal Vero cell lines, were tested employing the synthesized quinazoline-based thiazole compounds (4a-j). All of these compounds showed a moderate to significant cytotoxic impact that would have been noticeable and, in some cases, much more pronounced than the widely used drug erlotinib. For the MCF-7, HepG2, and A549 cell lines, respectively, the IC50 values of compound 4i were 2.86, 5.91, and 14.79 µM while those of compound 4j were 3.09, 6.87, and 17.92 µM. For their in vitro inhibitory effects against different EGFR kinases, such as the wild-type, L858R/T790 M, and L858R/T790 M/C797S, all the synthesized compounds were tested. The IC50 values for compound 4f against the wild-type, L858R/T790 M, and L858R/T790 M/C797S mutant EGFR kinases were 2.17, 2.81, and 3.62 nM, respectively. Investigations on the molecular docking of significant molecules indicated potential mechanisms of binding into the EGFR kinase active sites. By using in-silico simulations, compounds' putative drug-like qualities were verified. Finally, it has been shown that the newly synthesized compounds 4i and 4j are good candidates and beneficial for future design, optimization, and research to build more potent and selective EGFR kinase inhibitors with higher anticancer activity.

5.
Ultrason Sonochem ; 100: 106615, 2023 Nov.
Article in English | MEDLINE | ID: mdl-37776717

ABSTRACT

A cost effective and environmentally benign ultrasonic method has been developed for the synthesis of InVO4 (InV), In2S3 (InS) and the InVO4/In2S3 heterostructure (InV/InS). All the designed materials were evaluated for their structural, morphological, spectroscopic, and electrochemical characterizations. Materials were examined for photocatalytic, sonocatalytic, and sonophotocatalytic degradation of carbofuran (CBF) and diazinon (DZN) pesticides under visible light. InV/InS showed enhanced degradation of CBF and DZN when compared to InV and InS. Photocatalytic degradation was accelerated by ultrasonication and found to degrade 97 and 98 % of CBF and DZN in 60 and 70 min, respectively. The reaction conditions, like pH, catalyst dosage, acoustic intensity, and ultrasound power, were carefully optimized. Electron spin resonance (ESR) spectroscopy shows the generation of superoxide radical anion and hydroxyl radicals as reactive species during photoredox reaction. The CBF and DZN degradation intermediates were analyzed using liquid chromatography mass spectroscopy (LC-MS) that shows the mineralization of the CBF and DZN to CO2 and H2O. The effect of Cl-, and PO43- were examined towards degradation of CBF and DZN under optimal conditions in the presence of InV/InS. The degradation of CBF and DZN is decreased in presence of Cl-, CO32- and NO3- but PO43- ions does not show any effect on degradation. The bandgap and Mott-Schottky results suggest the existence of type-II heterostructure between InV and InS through the interface. The synthesis of heterostructure and degradation of pesticides utilizes ultrasonic waves, which prove their multiple applications and attract researchers towards the effective use of sonication.

6.
J Biomol Struct Dyn ; : 1-16, 2023 Jul 21.
Article in English | MEDLINE | ID: mdl-37477248

ABSTRACT

Two new quinazoline derivatives (2a and 2b) were successfully synthesized in this work using the condensation technique in excellent yields. Using spectroscopic techniques and elemental analyses, the compounds were completely characterized. Density functional theory (DFT) computations have been used to examine the title compound's reactive characteristics. Chemical reactivity was predicted using local reactive descriptors and molecule electrostatic potential. Additionally, Time dependent DFT (TD-DFT) simulations were used to examine the impact of solvents on the photophysical characteristics. The affinity of compounds 2a and 2b for human serum albumin (HSA) was further explored using several electronic spectroscopies. Through static mechanisms, both compounds reduce the intrinsic fluorescence of HSA. It is determined that the HSA-2b complex's binding constant is significantly greater than the HSA-2a complex. The fluorescence spectrum measurements proved that the HSA underwent structural changes after interaction with these compounds. It was demonstrated by site marker competitive displacement studies that compounds 2a and 2b preferred to bind to site I in HSA subdomain IIA. Additionally, synchronised fluorescence spectra were utilized to analyze how HSA's conformation changed after interacting with various substances. The molecular docking investigations of these compounds with the three critical HSA binding sites, comprising subdomains IIA, IIIA, and IB, further confirmed the experimental findings. The significant contact between the investigated compounds and HSA was supported by the docking simulations.Communicated by Ramaswamy H. Sarma.

7.
Heliyon ; 9(2): e13460, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36846693

ABSTRACT

The current study reports on the synthesis and anticancer efficacy of novel oxadiazole derivatives (8a-f) as tubulin polymerization inhibitors. NMR, mass, and elemental studies were used to confirm the newly produced compounds. In contrast to the conventional medicine colchicine, compounds 8e and 8f demonstrated stronger sensitivity and improved IC50 values in the range of 3.19-8.21 µM against breast MCF-7, colorectal HCT116, and liver HepG2 cancer cell lines. The target compounds were tested for enzymatic activity against the tubulin enzyme. Compounds 8e and 8f were shown to have the most effective inhibitory action among the new compounds, with IC50 values of 7.95 and 9.81 nM, respectively. As compared to the reference drug, molecular docking investigations of the developed compounds revealed the crucial hydrogen bonding in addition to the hydrophobic interaction at the binding site, assisting in the prediction of the structural requirements for the found anticancer activity. These findings indicate that the 1,3,4-oxadizole scaffold has the potential for future research into new anticancer medicines.

8.
Chemosphere ; 322: 138235, 2023 May.
Article in English | MEDLINE | ID: mdl-36841457

ABSTRACT

Because of the excessive use of fossil fuels, CO2 emissions into the environment are increasing. An efficient method of converting CO2 to useful carbonaceous products in the presence of light is one way to address the issues associated with energy and environmental remediation. In2S3/WS2 heterostructure has been fabricated using the efficient hydrothermal method. The results of structural, morphological, optical, and photo/electrochemical characterization confirm the formation of a hierarchical, layered heterostructure of type-II. Enhanced photocatalytic activity is observed in InS/WS heterostructure compared to pristine In2S3 and WS2. InS/WS heterostructure exhibit higher photocatalytic activity than pure In2S3 and WS2. For 12 h, photocatalytic CO2 reduction produces 213.4 and 188.6 µmol of CO and CH4, respectively. Furthermore, the photocatalytic ability of the synthesized materials to degrade different parabens (Methyl: MPB, Ethyl: EPB, and Benzyl: BPB) under visible radiation was evaluated. Under optimized conditions, the InS/WS heterostructure degraded 88.6, 90.4, and 95.8% of EPB, BPB, and MPB, respectively, in 90 min. The mechanism of photocatalysis was discussed in detail. MCF-7 cell viability was assessed and found to exhibit low mortality in InS/WS treated MPB aqueous solution. InS/WS heterostructure could improve the fabrication of more sulphide-based layered materials to combat environmental pollution.


Subject(s)
Environmental Restoration and Remediation , Water , Carbon Dioxide , Parabens , Environmental Pollution
9.
Ultrason Sonochem ; 93: 106293, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36638650

ABSTRACT

A sonochemical based green synthesis method playa powerful role in nanomaterials and composite development. In this work, we developed a perovskite type of strontium titanate via sonochemical process. SrTiO3 particles were incorporated with nitrogen doped graphene oxide through simple ultrasonic irradiation method. The SrTiO3/NGO was characterized by various analytical methods. The nanocomposite of SrTiO3/NGO was modified with laser-induced graphene electrode (LIGE). The SrTiO3/NGO/LIGE was applied for electrochemical sensor towards chemotherapeutic drug detection (nilutamide). Cyclic voltammetry (CV) and differential pulse voltammetry (DPV) techniques have been used to examine the electrochemical performance of nilutamide (anti-cancer drug). DPV was found to be more sensitive and found to exhibit a sensitivity 8.627 µA µM-1 cm-2 for SrTiO3/NGO/LIGE with a wide linear range (0.02-892 µM) and low Limit of detection (LOD: 1.16 µM). SrTiO3/NGO/LIGE has been examined for the detection of nilutamide in blood serum and urine samples and obtained a good recovery in the range of 97.2-99.72 %. The enhanced stability and selectivity and practical application results indicates the suitability of SrTiO3/NGO/LIGE towards the detection of nilutamide drug in pharmaceutical industries.


Subject(s)
Antineoplastic Agents , Graphite , Graphite/chemistry , Electrochemical Techniques/methods , Electrodes
10.
Bioorg Med Chem Lett ; 77: 129042, 2022 12 01.
Article in English | MEDLINE | ID: mdl-36332884

ABSTRACT

Triazine-linked triazole compounds (4a-j) were designed, synthesized, and then examined for their anticonvulsant abilities. Compounds 4e, 4f, 4g, 4i, and 4j displayed significant anticonvulsant activity in both maximum electroshock seizure (MES) and pentylenetetrazole (PTZ) induced seizure during the preliminary screening. The phase II anticonvulsant activity statistics revealed that compounds 4e, 4f, 4g, 4i, and 4j demonstrated excellent activity as compared to the conventional drugs methaqualone and valproate, supporting the potential of these triazine-linked triazole analogues as novel anticonvulsant agents. To take use of the findings, computational parameters including docking analysis and drug-likeness prediction were carried out. Molecular modelling studies supported the essential pharmacophoric information that the structure activity relationship offered. The triazine-linked triazole analogues that were investigated might be viewed as helpful models for future research and derivatization.


Subject(s)
Anticonvulsants , Triazines , Humans , Anticonvulsants/pharmacology , Anticonvulsants/therapeutic use , Anticonvulsants/chemistry , Molecular Docking Simulation , Triazines/pharmacology , Pentylenetetrazole , Seizures/chemically induced , Seizures/drug therapy , Electroshock , Triazoles , Structure-Activity Relationship , Molecular Structure
12.
Bioorg Med Chem Lett ; 60: 128604, 2022 03 15.
Article in English | MEDLINE | ID: mdl-35123004

ABSTRACT

To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles linked ethionamide analogs were designed and synthesized. The elemental analysis, 1H NMR, 13C NMR and mass spectral data were used to characterize all of the novel analogs. In vitro activity against Mycobacterium tuberculosis (Mtb) H37Rv was assessed for all of the target compounds. The hydroxy and nitrile moieties on the imidazole ring, as well as the hydroxy and methoxy groups on the benzimidazole ring connected to the ethionamide side chain, were shown to be advantageous. In our cell viability experiment against the Vero cell line, all of the compounds were non-cytotoxic even at 100 µM. To confirm the powerful analogs target identification, we investigated their in vitro inhibitory action on an M. tuberculosis InhA over-expressing (Mtb InhA-OE) strain, which yielded MICs nearly twice those of the Mtb H37Rv strain. Furthermore, the results of molecular docking confirmed the experimental findings. Additionally, the molecules were evaluated in silico for ADMET and drug similarity features. The experimental observation enables the newly generated ethionamide derivatives to be attractive candidates for the creation of newer and better anti-TB agents.


Subject(s)
Antitubercular Agents/pharmacology , Benzimidazoles/pharmacology , Ethionamide/pharmacology , Imidazoles/pharmacology , Inhibins/antagonists & inhibitors , Mycobacterium tuberculosis/drug effects , Antitubercular Agents/chemical synthesis , Antitubercular Agents/chemistry , Benzimidazoles/chemical synthesis , Benzimidazoles/chemistry , Dose-Response Relationship, Drug , Drug Design , Ethionamide/chemical synthesis , Ethionamide/chemistry , Humans , Imidazoles/chemical synthesis , Imidazoles/chemistry , Inhibins/metabolism , Microbial Sensitivity Tests , Molecular Docking Simulation , Molecular Structure , Structure-Activity Relationship
13.
Chemosphere ; 296: 134030, 2022 Jun.
Article in English | MEDLINE | ID: mdl-35189195

ABSTRACT

Agriculture is having a major role in solving issues associated with food shortages across the globe. Carbendazim (CZM) is one of the fungicides which is commonly used in agriculture to grow crops in large quantities and fast. Monitoring CZM content is in high demand for environmental remediation. The present work deals with the synthesis of gadolinium sesquisulfide anchored Nitrogen-doped reduced graphene oxide (Gd2S3/NRGO) through a simple microwave-assisted method. X-ray diffraction and morphological studies confirm the formation of the nanocomposite. Gd2S3/NRGO showed enhanced activity both in electrochemical detection and light-driven degradation of CZM compared to Gd2S3 and NRGO. Gd2S3/NRGO modified glassy carbon electrode (GCE) exhibit a wide linear range of 0.01-450 µM CZM with 0.009 µM LOD using differential pulse voltammetry (DPV). Gd2S3/NRGO@GCE showed good selectivity, stability, and recovery (98.13-99.10%) in the river water sample. In addition, Gd2S3/NRGO has been explored towards the visible-light-induced degradation of CZM. The reactions conditions were optimized to achieve maximum efficiency. 94% of CZM was degraded within 90 min in presence of Gd2S3/NRGO. Mechanism of electrochemical redox reaction and degradation of CZM in presence of Gd2S3/NRGO has been explored to the maximum extent possible. Degradation intermediates were identified using LC-MS.


Subject(s)
Gadolinium , Graphite , Benzimidazoles , Carbamates , Carbon/chemistry , Electrochemical Techniques , Graphite/chemistry
14.
Chemosphere ; 287(Pt 4): 132348, 2022 Jan.
Article in English | MEDLINE | ID: mdl-34624585

ABSTRACT

At present energy and environmental remediation are of highest priority for the well defined sustainability. Multifunctional materials that solve both the issues are on high demand. In the present work, a simple method has been followed to extract carbon spheres fromTamarindus indica(commonly known astamarind fruit) shelland doped with nitrogen (N-CS). Vanadium pentoxide nanoflakes were decorated aroundN-CS and the resultant is labeled as V2O5/N-CS nanocomposite. The spectroscopic, microscopic, elemental mapping and x-ray photoelectron spectroscopic characterization confirm the nitrogen doping and formation of hybrid material. N-CS, V2O5, and V2O5/N-CS nanocompositehave been evaluated for their efficiency to evolve hydrogen and for degradation of Bisphenol A (BPA) under visible light. In addition, electrocatalytic hydrogen evolution in presence of light has also been evaluated. The DRS spectrum proves the decrease in the bandgap of V2O5 upon its decoration around N-CS material. In a photochemical experiment, the V2O5/N-CS nanocomposite evolved 18,600 µmolg-1 of H2.Electrochemical hydrogen evolution has also been evaluated in presence of light and obtained the onset potential of -60mV with 52 mV dec-1 Tafel slope value. Scavenger studies indicate superoxide radicals and hydroxyl radicals are the active species responsible for the degradation of BPA. BPA degradation pathway has been predicted with the support of LC-MS results of the intermediates. All these results indicate the synthesized nanocomposite could be an efficient, stable multifunctional material for photocatalytic applications.


Subject(s)
Nitrogen , Tamarindus , Benzhydryl Compounds , Carbon , Catalysis , Hydrogen , Phenols , Vanadium Compounds , Water
15.
Mikrochim Acta ; 188(9): 303, 2021 Aug 25.
Article in English | MEDLINE | ID: mdl-34435234

ABSTRACT

Detection of anticancer drug (doxorubicin) using an electrochemical sensor is developed based on a transition metal vanadate's related carbon composite material. With an environmentally friendly process, we have synthesized a metal oxide composite of iron vanadate nanoparticle assembled with sulfur-doped carbon nanofiber (FeV/SCNF). The FeV/SCNF composite was characterized using XRD, TEM, FESEM with elemental mapping, XPS and EDS. In contrast to other electrodes reported in the literature, a much-improved electrochemical efficiency is shown by FeV/SCNF composite modified electrodes. Amperometric technique has been employed at 0.25 V (vs. Ag/AgCl) for the sensitive detection of DOX within a wide range of 20 nM-542.5 µM and it possesses enhanced selectivity in presence of common interferents. The modified electrochemical sensors show high sensitivity of 46.041 µA µM-1 cm-2. The newly developed sensor could be used for the determination of doxorubicin in both blood serum and drug formulations with acceptable results, suggesting its feasibility for real-time applications.


Subject(s)
Antineoplastic Agents/analysis , Doxorubicin/analysis , Nanocomposites/chemistry , Nanofibers/chemistry , Antineoplastic Agents/blood , Antineoplastic Agents/chemistry , Antineoplastic Agents/urine , Carbon/chemistry , Deep Eutectic Solvents/chemistry , Doxorubicin/blood , Doxorubicin/chemistry , Doxorubicin/urine , Electrochemical Techniques/instrumentation , Electrochemical Techniques/methods , Electrodes , Humans , Iron/chemistry , Limit of Detection , Oxidation-Reduction , Sulfur/chemistry , Vanadates/chemical synthesis , Vanadates/chemistry
16.
Bioorg Med Chem Lett ; 44: 128118, 2021 07 15.
Article in English | MEDLINE | ID: mdl-34015505

ABSTRACT

A Ta2O5-anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been synthesized and characterized. It was then used as a highly effective nanocatalyst for the synthesis of quinolin-2(1H)-one derivatives through CO bond functionalization. The special advantage of this heterogeneous solid catalyst is the reusability of the catalyst for up to five cycles without any noticeable reduction in product yields. In comparison, healthy reaction profiles, wide substrate scope, excellent yields and easy workup conditions are the notable highlights of this approach. All the compounds were tested for their anticancer activity against MCF-7 (human breast), HepG2 (human liver), HCT116 (human colorectal), and PC-3 (human prostate) cancer cell lines with the MTT assay. All the compounds were shown to have moderate to good inhibitory effects on tested cancer cell lines. Besides, compounds 5b, 5c and 5d showed good selectivity against epidermal growth factor receptor-tyrosine kinase (EGFR-TK). Molecular docking results showed that active compounds showed a good affinity towards EGFR kinase (PDB ID: 6V6O) by forming two hydrogen bonds with Cys-797 and Tyr-801. All the compounds were screened for computational ADMET and Lipinski analysis.


Subject(s)
Antineoplastic Agents/pharmacology , Drug Discovery , Molecular Docking Simulation , Protein Kinase Inhibitors/pharmacology , Quinolines/pharmacology , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/chemistry , Cell Line, Tumor , Cell Proliferation/drug effects , Dose-Response Relationship, Drug , Drug Screening Assays, Antitumor , ErbB Receptors/antagonists & inhibitors , ErbB Receptors/metabolism , Humans , Molecular Structure , Particle Size , Protein Kinase Inhibitors/chemical synthesis , Protein Kinase Inhibitors/chemistry , Quinolines/chemical synthesis , Quinolines/chemistry , Structure-Activity Relationship
17.
J Relig Health ; 60(4): 2646-2661, 2021 Aug.
Article in English | MEDLINE | ID: mdl-33575892

ABSTRACT

Individuals with cystic fibrosis (CF) face a challenging disease, and depression is a significant concern. Many patients draw on religious/spiritual resources to assist them in managing the demands of chronic illness; however, these coping efforts rarely have been evaluated among adults with CF. This longitudinal study examined relationships between distinct types of positive and negative religious/spiritual coping at baseline (assessed with the RCOPE) and depression screening outcomes 12 month later (assessed with the Hospital Anxiety and Depression Scale). In logistic regression analyses controlling for disease severity (FEV1% predicted), lower likelihood of depression caseness at 12 months was predicted by higher general religiousness at baseline, greater use of benevolent religious reappraisal coping, greater use of spiritual connection coping, and lower spiritual discontent. Results suggest that distinct aspects religious/spiritual coping have differential associations with subsequent depression outcomes. Findings extend prior research to an important, understudied medical population, and address a clinically meaningful outcome.


Subject(s)
Cystic Fibrosis , Depression , Adaptation, Psychological , Adult , Cystic Fibrosis/complications , Humans , Longitudinal Studies , Spirituality
18.
Bioorg Med Chem Lett ; 36: 127810, 2021 03 15.
Article in English | MEDLINE | ID: mdl-33482292

ABSTRACT

Using Cu(I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel 1,2,3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized molecules were characterized by spectroscopic techniques such as 1H NMR, 13C NMR, mass and elemental analysis. Antitubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv (Mtb) and cytotoxic activity against the mammalian Vero cell line was screened for the synthesized compounds. The compounds 3d and 3e displayed potent in vitro antitubercular activity and may serve as a lead for further optimization. Besides, the experimental findings were in line with the results of molecular docking. Also, the synthesized compounds have also been analyzed for ADME properties and the experimental finding facilitates the development of new and more potent anti-TB agents in this series in the future. Using fluorescence and UV-vis absorption spectroscopy, the binding interaction of compounds (3d and 3e) with human serum albumin (HSA) was investigated. The results showed that, as a result of HSA-compound complex, the fluorescence quenching of HSA by test compounds was a static quenching process. According to Forster's theory, energy transfer efficiency is calculated.


Subject(s)
Antitubercular Agents/pharmacology , Imidazoles/pharmacology , Molecular Docking Simulation , Mycobacterium tuberculosis/drug effects , Serum Albumin, Human/chemistry , Triazoles/pharmacology , Animals , Antitubercular Agents/chemical synthesis , Antitubercular Agents/chemistry , Binding Sites/drug effects , Cell Survival/drug effects , Chlorocebus aethiops , Dose-Response Relationship, Drug , Humans , Imidazoles/chemical synthesis , Imidazoles/chemistry , Microbial Sensitivity Tests , Molecular Structure , Structure-Activity Relationship , Triazoles/chemistry , Vero Cells
19.
J Behav Med ; 43(4): 596-604, 2020 08.
Article in English | MEDLINE | ID: mdl-31254218

ABSTRACT

Individuals with cystic fibrosis (CF) are confronted by a range of difficult physical and psychosocial sequelae. Gratitude has drawn growing attention as a psychosocial resource, but it has yet to be examined among adults with CF. The current investigation evaluated longitudinal associations between trait gratitude and subsequent outcomes from depression screening 12 months later, adjusting for disease severity (FEV1% predicted) and other significant clinical or demographic covariates. Participants were 69 adult CF patients recruited from a regional adult treatment center. They completed a validated measure of gratitude (Gratitude Questionnaire-6) at baseline and a screening measure of depression (Hospital Anxiety and Depression Scale) at 12-month follow-up. In a logistic regression analysis controlling for disease severity, higher levels of baseline gratitude were associated with reduced likelihood of depression caseness at 12 months (OR .83, 95% CI .73-.91, p = .001). Gratitude remained predictive after adjusting for other psychosocial resource variables (i.e., perceived social support and positive reframing coping). Findings offer an initial indication of the potential salutary role of dispositional gratitude in an understudied clinical population.


Subject(s)
Cystic Fibrosis/psychology , Depression/epidemiology , Adaptation, Psychological , Adult , Anxiety/psychology , Cystic Fibrosis/diagnosis , Cystic Fibrosis/epidemiology , Depression/psychology , Disease Progression , Female , Humans , Male , Middle Aged , Social Support , Surveys and Questionnaires
20.
Article in English | MEDLINE | ID: mdl-31578917

ABSTRACT

Contemporary research reveals an undemanding protocol for the catalytic synthesis of 1,2,4-oxadiazole-quinolinepeptide in the incidence of a cost-effective and reusable mesoporous ZrO2-supported Cu2O (Cu2ZrO3) catalyst. This paper depicts a unique system for peptide bond synthesis staying away from toxic solvents and reactants. The catalyst was reused for four cycles without noteworthy loss in the activity, and the catalyst was genuinely heterogeneous. The method followed a simple workup procedure, and no column chromatography was needed. Further, the synthesized 1,2,4-oxadiazole-quinolinepeptide ligand (L), and its complexes of type, [FeLCl2] and [CuL]Cl2 were synthesized and characterized by spectral and analytical techniques. An octahedral geometry has been projected for Fe(II) complexes, while the Cu(II) complex exhibits a square planar geometry. The binding properties of the complexes with CT-DNA were studied by absorption spectral analysis, followed by viscosity measurement and thermal denaturation studies. The photo-induced cleavage studies revealed that the complexes possess photonuclease activity against pUC19 DNA under UV-visible irradiation.


Subject(s)
Coordination Complexes/chemistry , DNA/chemistry , Nanoparticles/chemistry , Oxadiazoles/chemistry , Peptidomimetics/chemistry , Quinolines/chemistry , Animals , Catalysis , Cattle , Coordination Complexes/pharmacology , Copper/chemistry , DNA Cleavage/drug effects , Ligands , Molecular Structure , Oxadiazoles/pharmacology , Particle Size , Peptidomimetics/pharmacology , Plasmids/drug effects , Porosity , Quinolines/pharmacology , Surface Properties , Viscosity , Zirconium/chemistry
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