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1.
Int J Biol Macromol ; 277(Pt 1): 134158, 2024 Jul 24.
Article in English | MEDLINE | ID: mdl-39059528

ABSTRACT

Wound dressings play a crucial role in protecting injured tissues and promoting the healing process. Traditional fabrication of antibacterial wound dressings can be complex and may involve toxic components. In this study, we developed an innovative hydrogel film (AP:GE@OTA/Ag) composed of amidated pectin (AP), gelatin (GE), oxidized tannic acid (OTA) at varying concentrations, and in-situ reduced silver nanoparticles (AgNPs). FTIR and XRD analyses confirmed that crosslinking occurs via interactions between OTA quinone groups and free amino groups in AP and GE. TEM imaging demonstrated the well-dispersed AgNPs with an average particle size of 58.64 nm, while the TG measurements indicated the enhancement of the thermal stability compared to AP:GE films. The AP:GE@OTA/Ag films exhibited superior fluid uptake ability (90.96 % at 2 h), water retention capacity (91.69 % at 2 h), and water vapor transmission rate (1903.29 g/m2/day), alongside improved tensile strength (38 MPa). Additionally, these films showed excellent cytocompatibility and sustained potent antimicrobial activity against S. aureus and E. coli with low AgNPs loadings of 1.02 ± 0.13 µg/cm2. NIT-1 mouse insulinoma cells demonstrated robust proliferation when cultured with the prepared dressings. These films significantly accelerated wound repair in a skin excision model, indicating their potential clinical applications for wound healing.

2.
Comp Immunol Microbiol Infect Dis ; 111: 102213, 2024 Aug.
Article in English | MEDLINE | ID: mdl-38941742

ABSTRACT

Lactic acid bacteria (LAB), particularly Lactobacilli strains, represent a widely studied and promising group of probiotics with numerous potential health benefits. In this study, we isolated LAB strains from fecal samples of healthy broiler chickens and characterized their probiotic properties. Out of 62 initial isolates, five strains were selected for further investigations based on their antibacterial activity against pathogenic bacteria. These selected strains were identified as Lactiplantibacillus species. They exhibited desirable probiotic traits, including non-hemolyis, non-cytotoxicity, lack of antibiotic resistance, acid tolerance, auto-aggregation, and antioxidative potential. Encapsulation of these strains in alginate beads enhanced their survival compared to free cells, in stomach (69-87 % vs. 34-47 %) and intestinal (72-100 % vs. 27-51 %) juices, after 120 min exposure. These findings suggest that encapsulated Lactiplantibacillus strains could be used as feed additives for broiler chickens. Nevertheless, further studies are needed to set on their probiotic potential in vivo.


Subject(s)
Animal Feed , Chickens , Feces , Probiotics , Animals , Probiotics/administration & dosage , Chickens/microbiology , Animal Feed/microbiology , Feces/microbiology , Alginates , Microbial Viability , Lactobacillales
3.
J Biomol Struct Dyn ; 41(16): 7551-7566, 2023.
Article in English | MEDLINE | ID: mdl-36120951

ABSTRACT

In this work, a novel Schiff-base derived from curcumin and L-Alanine was synthesized under microwave conditions in excellent yield. The structural characterization has been carried out from their elemental analyses, FTIR, UV-Vis and 13C-NMR and 1H-NMR spectral techniques. The Schiff base (Cur-Ala) and curcumin (Cur) have been screened for their antimicrobial activity toward some pathogens clinically important microorganisms: Bacillus subtilis, Escherichia coli and Staphylococcus aureus, Aspergillus niger and Candida albicans. Result found that the Schiff base was more active than the curcumin. The antibacterial and antifungal activities of Cur-Ala can be attributed to its greatest dipole moment, as shown by theoretical calculations. Also, the antioxidant activity of Schiff base and curcumin were studied by DPPH, cupric ion reducing antioxidant capacity and o-phenanthroline techniques. Results indicate that Cur-Ala and Cur show more antioxidant activities than the standard antioxidants (BHT and BHA). Quantum chemical parameter calculations of Cur-Ala and Cur have been investigated by DFT using B3LYP/6-31G (d,p) basis set method to calculate the optimized structure, atomic charges, MESP, global reactivity descriptors and thermomolecular proprieties of both molecules.Communicated by Ramaswamy H. Sarma.

4.
Inflammation ; 46(1): 432-452, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36227522

ABSTRACT

The effectiveness of curcumin in preventing and treating collagen-induced inflammatory arthritis (CIA) in rats and oxidative stress in rats was investigated. We investigated curcumin's curative and preventive effects on paw edema, arthritic size, body weight, and radiologic and histological joint abnormalities. It has been shown that curcumin may dramatically lower the risk of developing arthritis. In addition, the number of white blood cells (WBCs) in the body has dropped, which is a strong indication that curcumin has anti-inflammatory characteristics. A follow-up theoretical investigation of curcumin molecular docking on xanthine oxidase (XO) was carried out after the properties of curcumin were determined using the conductor-like screening model for real solvents (COSMO-RS) theory. Because of the interaction between curcumin and the residues on XO named Ile264, Val259, Asn351, and Leu404, XO may be suppressed by this molecule. Curcumin's anti-inflammatory and antioxidant properties may be responsible for the anti-arthritic effects that have been seen on oxidative stress markers and XO. On the other hand, more research is being conducted to understand its function better in the early stages of rheumatoid arthritis (RA). To determine whether or not curcumin interacts with AR targets, a molecular docking study was conducted using MVD software against TNFRSF11A and cathepsin L.


Subject(s)
Arthritis, Experimental , Curcumin , Rats , Animals , Curcumin/pharmacology , Curcumin/therapeutic use , Arthritis, Experimental/chemically induced , Arthritis, Experimental/drug therapy , Arthritis, Experimental/pathology , Xanthine Oxidase/metabolism , Xanthine Oxidase/pharmacology , Xanthine Oxidase/therapeutic use , Molecular Docking Simulation , Cathepsin L/adverse effects , Anti-Inflammatory Agents/pharmacology , Oxidative Stress
5.
J Biomol Struct Dyn ; 40(20): 9870-9884, 2022.
Article in English | MEDLINE | ID: mdl-34114947

ABSTRACT

The aim of this work is to study the content of phenolic compounds in P lentiscus leaves and their antioxidant effect. After extracting the phenolic compounds, fractionation by liquid/liquid partition with increasing polarity gives five extracts. Three of them (ButF, AqF and ButA) were found to have good antioxidant activity. Their IC50s for the inhibition of the free radical formation of DPPH are 1.76 µg/mL, 1.307 µg/ml, and 1.77 µg/mL, respectively. These values are very interesting, considering the effect of the powerful flavonoid quercetin, whose IC50 against DPPH is 1.53 µg/mL. These extracts are also active against xanthine oxidase (XO). The IC50s measured are 0.14 mg/mL, 0.186 mg/mL and 0.33 mg/mL for ButF, Aq F and ButAq F extract respectively, in comparison with allopurinol (0.44 mg/mL). A phytochemical analysis by LC/ESI-MS-MS was performed to explain the observed activities. The results show 22 peaks representing: flavanols, namely catechin, d-Gallocatechin, and gallocatechin gallate. The only flavone detected in the studied extracts was luteolin glucuronide and was found to be in higher amounts in butanolic extract (2,71mg/mL). The phenolic acids and derivatives were also identified in the extracts. A theoretical study was performed to deduce the specificity of the binding between the major compounds identified in the P. lentiscus extract and the xanthine oxidase enzyme using Schrödinger software. The docking procedure was validated using the extraction of ligands from the binding site. Their re-anchoring to the xanthine oxidase structure using quercetin and allopurinol was considered reference molecules. After docking, post-docking minimization was performed to achieve the best scoring poses with the MM-GBSA approach. The dGBind energy of MM-GBSA representing the binding energy of the receptor and the ligand was calculated based on molecular mechanics. Results reveal that ß-Glucogallin compounds such as Digalloylquinic acid, Gallocatechin, and Myricetin-3-O rhamnoside are more active than allopurinol, with stronger Docking score (Gscore) and MM-GBSA dGBind.Communicated by Ramaswamy H. Sarma.


Subject(s)
Pistacia , Pistacia/chemistry , Pistacia/metabolism , Xanthine Oxidase/metabolism , Quercetin , Allopurinol , Plant Extracts/pharmacology , Plant Extracts/chemistry , Antioxidants/pharmacology , Antioxidants/chemistry , Phenols , Models, Theoretical
6.
J Biomol Struct Dyn ; 40(2): 886-902, 2022 02.
Article in English | MEDLINE | ID: mdl-32948119

ABSTRACT

The Inhibitor of IKK-ß (nuclear factor kappa B kinase subunit beta), a specific modulator of NF-κB (nuclear factor-κB), is considered a valid target to discover new active compounds for various cancers and rheumatoid arthritis treatment. In this study a series of thirty 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives was involved for a quantitative structure activity relationship model (QSAR) elaboration which allows the prediction of the pIC50 values of new designed compounds. The model can be used to predict the activity of new compounds within its applicability domain. Then a molecular docking study was carried out to identify the interactions between the compounds and the amino acids of the active site. After that, golden triangle, Veber's rule, and Lipinski's rule properties were calculated to identify the drug-likeness properties of the investigated compounds. Finally, in-silico-toxicity studies were performed to predict the toxicity of the new designed compounds. The analysis of the results of QSAR model and molecular docking succeeded to screen 21 interesting compounds with better inhibitory concentration having a good affinity to IKK-ß. All compounds were within the range set by Veber's rule and Lipinski's rule. the analysis of golden triangle showed that the thirty 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives would not have clearance and cell membrane permeability problems except comp6 comp12,comp20, comp21, and comp26.As for the new designed compounds, their properties may have these problems, except two compounds which are: A8m, A8p. The A1m, A1p, A3p and A11m compounds were predicted to be nontoxic. These findings indicate that the novel potent candidate drugs have promising potential to IKK-ß enzyme inhibition and should motivate future experimental investigations.Communicated by Ramaswamy H. Sarma.


Subject(s)
I-kappa B Kinase , Quantitative Structure-Activity Relationship , Drug Discovery , Molecular Docking Simulation , Molecular Dynamics Simulation , Pyridines/pharmacology
7.
Pak J Pharm Sci ; 29(1): 111-7, 2016 Jan.
Article in English | MEDLINE | ID: mdl-26826824

ABSTRACT

Various extracts from the seeds of Nigella sativa have been used in traditional folk medicine to treat inflammation, liver disorders and arthritis. These seeds have been experimentally shown to possess antioxidant and hepatoprotective properties. Beside the hypoglycaemic and hypolipidemic effects, this study was carried out to evaluate, in vitro, toxicological effect of lipid extracts from the Nigella sativa seeds. The tested fractions were: (i) defatted methanolic extract, (ii) total lipid extract obtained by hexane extraction from methanolic extract and (iii) neutral and polar lipid fractions. The fractions were assessed, in vitro, for their inhibitory activity potential on the enzyme alpha-glucosidase as suppressing the enzyme activity is one among the therapeutic approaches to attenuate postprandial hyperglycemia. High inhibition of alpha-glucosidase by the two polar lipid fractions (F6 and F7) was reflected by their IC50 (0.51±0.04mg/ml and 0.55±0.09mg/ml, respectively), compared to acarbose (0.53±0.06mg/ml) and thymoquinone (0.65±0.05mg/ml). The hypoglycaemic effect of the polar lipid fraction of Nigella sativa could be explained by the inhibition of alpha-glucosidase, which is one of early steps of carbohydrate metabolism. Toxicological evaluation was investigated on precision-cut rat liver slices (PCLS). On PCLS, lipid extracts reduced ATP levels by 27 to 35%. Results indicate suggest that Nigella sativa extracts don't show a hepatoprotective effect against acetaminophen, but don't exhibit a major hepatotoxicity when tested alone.


Subject(s)
Adenosine Triphosphate/metabolism , Glycoside Hydrolase Inhibitors/pharmacology , Liver/drug effects , Nigella sativa , Plant Extracts/pharmacology , Animals , Diabetes Mellitus, Experimental/blood , Diabetes Mellitus, Experimental/drug therapy , Female , Liver/metabolism , Rats , Rats, Wistar , Seeds , Streptozocin , alpha-Glucosidases/metabolism
8.
Food Chem ; 188: 184-92, 2015 Dec 01.
Article in English | MEDLINE | ID: mdl-26041181

ABSTRACT

Physicochemical characteristics of seeds of some pinus species (Pinus halepensis Mill., Pinus pinea L., Pinus pinaster and Pinus canariensis) grown in North Algeria were determined. The results showed that the seeds consist of 19.8-36.7% oil, 14.25-26.62% protein, 7.8-8.6% moisture. Phosphorus, potassium and magnesium were the predominant elements present in seeds. Pinus seed's oil physicochemical properties show acid values (4.9-68.9), iodine values (93.3-160.4) and saponification values (65.9-117.9). Oil analysis showed that the major unsaturated fatty acids for the four species were linoleic acid (30-59%) and oleic acid (17.4-34.6%), while the main saturated fatty acid was palmitic acid (5-29%). Gas Chromatography and Mass Spectrometry analysis of P. halepensis Mill., P. pinaster and P. canariensis volatile oils indicated that the major volatile compound was the limonene with relative percentage of 3.1, 7.5 and 10.8, respectively.


Subject(s)
Lipids/analysis , Pinus/chemistry , Seeds/chemistry , Volatile Organic Compounds/analysis , Algeria , Chemical Phenomena , Chromatography, Gas , Cyclohexenes/analysis , Fatty Acids/analysis , Fatty Acids, Unsaturated/analysis , Limonene , Mass Spectrometry , Plant Oils/chemistry , Terpenes/analysis
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