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Molecules (Basel, Switzerland) Jul 2023The development of novel scaffolds that can increase the effectiveness, safety, and convenience of medication therapy using drug conjugates is a promising strategy. As a...
New Acetamide-Sulfonamide-Containing Scaffolds: Antiurease Activity Screening, Structure-Activity Relationship, Kinetics Mechanism, Molecular Docking, and MD Simulation Studies.
The development of novel scaffolds that can increase the effectiveness, safety, and convenience of medication therapy using drug conjugates is a promising strategy. As a result, drug conjugates are an active area of research and development in medicinal chemistry. This research demonstrates acetamide-sulfonamide scaffold preparation after conjugation of ibuprofen and flurbiprofen with sulfa drugs, and these scaffolds were then screened for urease inhibition. The newly designed conjugates were confirmed by spectroscopic techniques such as IR, 1HNMR, 13CNMR, and elemental analysis. Ibuprofen conjugated with sulfathiazole, flurbiprofen conjugated with sulfadiazine, and sulfamethoxazole were found to be potent and demonstrated a competitive mode of urease inhibition, with IC50 (µM) values of 9.95 ± 0.14, 16.74 ± 0.23, and 13.39 ± 0.11, respectively, and urease inhibition of 90.6, 84.1, and 86.1% respectively. Ibuprofen conjugated with sulfanilamide, sulfamerazine, and sulfacetamide, whereas flurbiprofen conjugated with sulfamerazine, and sulfacetamide exhibited a mixed mode of urease inhibition. Moreover, through molecular docking experiments, the urease receptor-binding mechanisms of competitive inhibitors were anticipated, and stability analysis through MD simulations showed that these compounds made stable complexes with the respective targets and that no conformational changes occurred during the simulation. The findings demonstrate that conjugates of approved therapeutic molecules may result in the development of novel classes of pharmacological agents for the treatment of various pathological conditions involving the urease enzyme.
Topics: Molecular Docking Simulation; Flurbiprofen; Ibuprofen; Enzyme Inhibitors; Sulfacetamide; Kinetics; Urease; Sulfamerazine; Canavalia; Structure-Activity Relationship; Sulfanilamide; Sulfonamides; Molecular Structure
PubMed: 37513261
DOI: 10.3390/molecules28145389 -
Analytical Chemistry Jul 2023It is an urgent need to develop simple and high-throughput methods for simultaneously screening and detecting multiple or groups of sulfonamides (SAs) in animal-derived...
Regulating the Growth Rate of Gold Nanobipyramids via a HCl-NADH-Ascorbic Acid System toward a Dual-Channel Multicolor Colorimetric Immunoassay for Simultaneously Screening and Detecting Multiple Sulfonamides.
It is an urgent need to develop simple and high-throughput methods for simultaneously screening and detecting multiple or groups of sulfonamides (SAs) in animal-derived foods since various SAs were alternately used in animal husbandry to avoid generating drug resistance. We herein developed a novel HCl-reduced nicotinamide adenine dinucleotide I (NADH)-ascorbic acid (AA)-mediated gold nanobipyramids (AuNBPs) growth system, which can precisely regulate the growth rate of AuNBPs, to generate two colorful and stable AA-corresponding multicolor signal channels with different sensitivities. Based on the HCl-NADH-AA-mediated AuNBP growth system, we further developed a dual-channel multicolor immunoassay for simultaneously realizing rapid screening and detection of 5 SAs (sulfamethazine, sulfamethoxydiazine, sulfisomidine, sulfamerazine, and sulfamonomethoxine) by using a paper-based analytical device for sensitively and stably reading out the signal and a broad-specificity anti-SAs antibody as a bio-receptor. The developed immunoassay has more color changes, a wider linear range, excellent specificity and stability, and two multicolor signal channels (L-channel and H-channel) with different sensitivities. The H-channel exhibited 7-8 SAs-corresponding color changes and can be used to detect 5 target SAs with a visual detection limit of 0.1-0.5 ng/mL and a spectrometry detection limit of 0.05-0.16 ng/mL. The L-channel exhibited 7-9 SAs-corresponding color changes and can be used to detect 5 target SAs with a visual detection limit of 2.0-6.0 ng/mL and a spectrometry detection limit of 0.40-1.47 ng/mL. The developed immunoassay was successfully used to simultaneously screen and detect low-concentration and high-concentration of target SAs in milk and fish muscle samples with a recovery of 85-110% and an RSD ( = 5) < 8%. The visual detection limit of our immunoassay is much lower than the maximum residue limit of total SAs in edible tissue. All above features make our immunoassay a promising assay for simultaneously realizing the rapid screening and quantitative determination of multiple SA residues in food by bare eye observation. It must be mentioned that our immunoassay may be expended as a general method for the simultaneous visual screening and detection of other drugs using the corresponding antibody as a recognition probe.
Topics: Animals; Sulfonamides; NAD; Gold; Colorimetry; Ascorbic Acid; Antibodies; Sulfanilamide; Immunoassay; Limit of Detection
PubMed: 37382204
DOI: 10.1021/acs.analchem.3c01928 -
Environmental Technology Jul 2024Natural organic matter (NOM) can impede the removal of organic micro-pollutants (OMPs) through several mechanisms, including inner filter effect, competition with the...
Natural organic matter (NOM) can impede the removal of organic micro-pollutants (OMPs) through several mechanisms, including inner filter effect, competition with the target OMP, and radical scavenging, during synchronous adsorption/photocatalysis of multi-functional composites. In this study, the fate and inhibitory mechanisms of sulfamerazine (SMZ, a model OMP) that occurred in presence of seven different NOM samples (i.e. three standard NOM surrogates, a river water sample, a carbon filter effluent and two different sand filter effluents) during the adsorption/photocatalysis by a composite of BiO-TiO supported on powdered activated carbon (BiO-TiO/PAC, abbreviated as BTP) when exposed to visible light irradiation were revealed. The results indicated that adsorption played a greater attribution than photocatalysis on SMZ removal. The primary impediment to the adsorption and photocatalytic degradation of SMZ was attributed to the presence of terrestrial-derived, humic-like NOM fractions with high aromaticity. The adsorption efficacy of SMZ was weakened by the absorption of NOM and its degradation products onto the BTP surface. The inner filter effect, competition between NOM and SMZ, and radical scavenging were responsible for the reduced photocatalysis of SMZ. In the cases of real water matrices, the presence of inorganic anion and co-existed NOM reduced the removal of SMZ. In summary, the findings of this work offer a comprehensive comprehension of the impact of NOM fractions on photocatalysis, emphasizing the necessity to examine the interplay between NOM and background inorganic constituents in the degradation of OMP via adsorption/photocatalysis.
Topics: Adsorption; Water Pollutants, Chemical; Sulfamerazine; Humic Substances; Titanium; Bismuth; Catalysis; Water Purification; Light; Charcoal
PubMed: 37337954
DOI: 10.1080/09593330.2023.2224065 -
Journal of Pharmaceutical and... Sep 2023This study aimed to develop a molecularly imprinted polymer (MIP) sensor using electropolymerization of thiophene acetic acid monomer around template molecules,...
ZnO and Au nanoparticles supported highly sensitive and selective electrochemical sensor based on molecularly imprinted polymer for sulfaguanidine and sulfamerazine detection.
This study aimed to develop a molecularly imprinted polymer (MIP) sensor using electropolymerization of thiophene acetic acid monomer around template molecules, sulfaguanidine (SGN) and sulfamerazine (SMR), for selective and sensitive detection of both antibiotics. Au nanoparticles were then deposited on the modified electrode surface, and SGN and SMR were extracted from the resulting layer. Surface characterization, changes in the oxidation peak current of both analytes, and investigation of the electrochemical properties of the MIP sensor were examined using scanning electron microscopy, cyclic voltammetry, and differential pulse voltammetry. The developed MIP sensor with Au nanoparticles showed a detection limit of 0.030 µmol L and 0.046 µmol L for SGN and SMR, respectively, with excellent selectivity in the presence of interferents. The sensor was successfully used for SGN and SMR analysis in human fluids, including blood serum and urine, with excellent stability and reproducibility.
Topics: Humans; Molecularly Imprinted Polymers; Sulfamerazine; Sulfaguanidine; Gold; Zinc Oxide; Metal Nanoparticles; Reproducibility of Results; Molecular Imprinting; Electrochemical Techniques; Electrodes; Limit of Detection
PubMed: 37336038
DOI: 10.1016/j.jpba.2023.115518 -
The Journal of Organic Chemistry Jul 2023A novel and efficient -arylation of sulfenamides with diaryliodonium salts for the synthesis of sulfilimines is developed. The reaction proceeds smoothly under...
A novel and efficient -arylation of sulfenamides with diaryliodonium salts for the synthesis of sulfilimines is developed. The reaction proceeds smoothly under transition-metal-free and air conditions, giving rapid access to sulfilimines in good to excellent yields via selective S-C bond formation. This protocol is scalable and exhibits a broad substrate scope, good functional group tolerance, and excellent chemoselectivity.
Topics: Metals; Sulfamerazine; Transition Elements
PubMed: 37327035
DOI: 10.1021/acs.joc.3c00961 -
The Science of the Total Environment Aug 2023Sulfamerazine (SM) is a commonly used antibiotic and have been widely used to control various bacterial infectious diseases. The structural composition of colored...
Sulfamerazine (SM) is a commonly used antibiotic and have been widely used to control various bacterial infectious diseases. The structural composition of colored dissolved organic matter (CDOM) is known to be a major factor that influences the indirect photodegradation of SM, yet the influence mechanism remains unknown. In order to understand this mechanism, CDOM from different sources was fractionated using ultrafiltration and XAD resin, and characterized using UV-vis absorption and fluorescence spectroscopy. The indirect photodegradation of SM in these CDOM fractions was then investigated. Humic acid (JKHA) and Suwannee River natural organic matter (SRNOM) were used in this study. The results showed that CDOM could be divided into four components (three humic-like components and one protein-like component), and terrestrial humic-like components C1 and C2 were found to be the main components that promote SM indirect photodegradation due to their high aromaticity. The indirect photodegradation of SM was much faster in low molecular weight (MW) solutions, whose structures were dominated by greater aromaticity and terrestrial fluorophores in JKHA and higher terrestrial fluorophores in SRNOM. The HIA and HIB fractions of SRNOM contained large aromaticity and high fluorescence intensities of C1 and C2, resulting in a greater indirect photodegradation rate of SM. The HOA and HIB fractions of JKHA had abundant terrestrial humic-like components and contributed more to SM indirect photodegradation.
Topics: Sulfamerazine; Dissolved Organic Matter; Organic Chemicals; Photolysis; Anti-Bacterial Agents; Rivers; Spectrometry, Fluorescence; China
PubMed: 37201832
DOI: 10.1016/j.scitotenv.2023.164231