Chronic renal insufficiency, hemodialysis, peritoneal dialysis, renal transplantation and administration of different medications provoke complex biochemical disturbances of the calcium–phosphate ...metabolism with wide spectrum of bone and soft tissue abnormalities termed renal osteodystrophy. Clinically most important manifestation of renal bone disease includes secondary hyperparathyroidism, osteomalacia/rickets, osteoporosis, adynamic bone disease and soft tissue calcification. As a complication of long-term hemodialysis and renal transplantation amyloid deposition, destructive spondyloarthropathy, osteonecrosis, and musculoskeletal infections may occur. Due to more sofisticated diagnostic methods and more efficient treatment classical radiographic features of secondary hyperparathyroidism and osteomalacia/rickets are now less frequently seen. Radiological investigations play an important role in early diagnosis and follow-up of the renal bone disease. Although numerous new imaging modalities have been introduced in clinical practice (scintigraphy, CT, MRI, quantitative imaging), plain film radiography, especially fine quality hand radiograph, still represents most widely used examination.
Magnetic resonance imaging (MRI) is not only an excellent imaging modality for the demonstration of morphological changes but is also capable of providing pathophysiological and pathoanatomic ...information about various spinal diseases. Different techniques offer opportunities to demonstrate the degree of water content, the vascularity of tissue components, the accumulation of fat, and new bone production. Thus MRI closely reflects the initial phase as well as the progression of pathoanatomic changes during the evolution of a disease. Due to the high sensitivity of MRI, abnormalities are often established at an early stage of discovertebral disease, when etiological diagnosis may be difficult. The specificity of MRI findings lags behind its sensitivity; similar changes can be demonstrated in etiologically different disease entities, which reflects the limited reactive possibilities of the osteoarticular system. In fact, the MRI morphological and signal intensity features of different discovertebral lesions are commonly determined more by their location and by the reactive capabilities of disc and bone than by their etiology. Early and exact MRI differentiation of various discovertebral lesions is of the utmost clinical importance for prompt institution of appropriate therapy.
The 2 major and clinically most important primary inflammatory rheumatic diseases which affect small hand and feet joints are rheumatoid arthritis (RA) and psoriatic arthritis (PsA). The most ...important initial histopathological feature of RA is synovitis followed by chronic proliferative granulomatous pannus-tissue, which is associated with cartilage and bone destruction. Early inflammatory changes in RA also develop synchronously within the subchondral bone marrow. Enthesitis is the hallmark of SNSA, and is often seen as one of the first radiological manifestations of the diseases. As a rule inflammation within the synovial joints, histologically similar to RA, is not so pronounced. Consequently destructive changes within the synovial joints are much less with the exception of PsA in which pronounced bone destruction may develop (arthritis mutilans). Considerable overlapping in clinical and morphological manifestation of RA and PsA may be present. For evaluation of hand and feet joints and surrounding soft tissue structures in RA and PsA different imaging modalities are used, which include projection radiography, ultrasonography (US), radionuclide techniques and magnetic resonance imaging (MRI). MRI has become the imaging modality of choice for evaluation of arthritis, when conventional radiography is not conclusive.
The experimental and theoretical investigations of structure of the 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione were performed. X-ray structure analysis and spectroscopic methods (FTIR and ...FT-Raman, 1H and 13C NMR), along with the density functional theory calculations (B3LYP functional with empirical dispersion corrections D3BJ in combination with the 6–311 + G(d,p) basis set), were used in order to characterize the molecular structure and spectroscopic behavior of the investigated coumarin derivative. Molecular docking analysis was carried out to identify the potency of inhibition of the title molecule against human's Ubiquinol-Cytochrome C Reductase Binding Protein (UQCRB) and Methylenetetrahydrofolate reductase (MTHFR). The inhibition activity was obtained for ten conformations of ligand inside the proteins.
Display omitted
•X-ray structure analysis and spectroscopic methods are utilized.•The structure and spectroscopic behavior of the 1 were determined by DFT.•The Fukui functions are used to predict the reaction site in a molecule.•Molecular docking analysis evaluated the inhibitory nature of 1.
The numerous side effects of platinum based chemotherapy has led to the design of new therapeutics with platinum replaced by another transition metal. Here, we investigated the interactions of ...previously reported copper(II) complexes containing S-isoalkyl derivatives, the salicylic acid with guanosine-5'-monophosphate and calf thymus DNA (CT-DNA) and their antitumor effects, in a colon carcinoma model. All three copper(II) complexes exhibited an affinity for binding to CT-DNA, but there was no indication of intercalation or the displacement of ethidium bromide. Molecular docking studies revealed a significant affinity of the complexes for binding to the minor groove of B-form DNA, which coincided with DNA elongation, and a higher affinity for binding to Z-form DNA, supporting the hypothesis that the complex binding to CT-DNA induces a local transition from B-form to Z-form DNA. These complexes show a moderate, but selective cytotoxic effect toward colon cancer cells in vitro. Binuclear complex of copper(II) with S-isoamyl derivative of thiosalicylic acid showed the highest cytotoxic effect, arrested tumor cells in the G2/M phase of the cell cycle, and significantly reduced the expression of inflammatory molecules pro-IL-1β, TNF-α, ICAM-1, and VCAM-1 in the tissue of primary heterotopic murine colon cancer, which was accompanied by a significantly reduced tumor growth and metastases in the lung and liver.
The new coumarine derivate with methyl ester of 2-((
Z
)-1(2,4-dioxochroman-3-ylidene)ethylamino)-3-methylbutanoic acid and the corresponding palladium(II) complex are synthesized and characterized ...by microanalysis, infrared,
1
H and
13
C NMR spectroscopy. The proposed structure of the ligand was confirmed based on the X-ray structural study.
Newly palladium(II) complexes (C1, C2) with derivatives of 2-aminothiazoles (L1 = 2-amino-6-methylbenzothiazole, L2 = 2-amino-6-chlorobenzothiazole), general formula PdL2Cl2 were synthesized and ...characterized by elemental microanalyses, IR, NMR spectroscopy and X-ray spectroscopy in case of Pd(L2)2Cl2. The kinetic of the substitution reactions of complexes and the nucleophiles, such as guanosine-5′-monophosphate (5’-GMP), tripeptide glutathione (GSH) and amino acid L-methionine (L-Met), were studied by stopped-flow technique. The complex C2 was always more reactive, while the order of the reactivity of the nucleophiles, due to the associative mode of the reaction, was L-Met > GSH > 5’-GMP. In order to determine the type of interactions between palladium(II) complexes and calf thymus DNA (CT-DNA), we used electronic absorption spectroscopy, viscosity measurements, and fluorescence spectroscopic studies, while interactions with bovine serum albumin (BSA) were determined only with fluorescence spectroscopic studies. The observed results confirmed that both complexes bound to DNA by groove binding. The significantly strong interaction with BSA, especially for complex C2, was also observed. In vitro cytotoxic activity was evaluated against four tumor cell lines, 4 T1, CT26, MDA-MB-468, HCT116 and mesenchymal stem cells (mMSC). C1 complex showed higher cytotoxic activity against CT26 cell line. Flow cytometry analysis showed that C1 stimulated apoptosis of tumor cells via inhibition of expression of antiapoptotic Bcl-2 molecule and decelerated proliferation by decreasing Cyclin-D and increasing expression of P21. In vitro antimicrobial activity for ligands and corresponding palladium(II) complexes was investigated by microdilution method and minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) were determined. Tested compounds exhibited selective and moderate activity.
Newly complexes PdL2Cl2 (L1 = 2-amino-6-methylbenzothiazole, L2 = 2-amino-6-chlorobenzothiazole) were synthesized and characterized by elemental microanalysis, IR, 1H, 13C NMR and X-ray spectroscopy for Pd(L2)2Cl2. The kinetic of the substitution reactions and interactions of complexes with calf thymus DNA and bovine serum albumin were determined. In vitro cytotoxic and antimicrobial activity were tested. Display omitted
•Two new palladium(II) complexes were synthesized.•Characterization was performed by IR, 1H and 13C NMR and X-ray spectroscopy.•The kinetic of the substitution reactions were studied by stopped-flow technique.•The interactions of new complexes with calf thymus DNA and bovine serum albumin were investigated.•Cytotoxic and antimicrobial activities of palladium(II) complexes were evaluated.
The four new ligands, propylenediamine derivatives of phenylalanine (R2-S,S-pddbaˑ2HCl; L1-L4) and their palladium(II) complexes (C1-C4) were synthesized and characterized by elemental analysis, ...infrared, 1H and 13C NMR spectroscopy. The interactions of new palladium(II) complexes with human serum albumin (HSA) were studied by fluorescence spectroscopy. All investigated compounds can be transported to target cells by binding to HSA, but complex C4 interacts most strongly. Molecular docking simulations were applied to comprehend the binding of the complex to the molecular target of HSA. Obtained results are in good correlations with experimental data regarding binding affinity by HSA. In vitro cytotoxicity activities were investigated on four tumor cell lines (mouse mammary (4 T1) and colon (CT26), human mammary (MDA-MD-468) and colon (HCT116)) and mouse mesenchymal stem cells as non-tumor control cells. Cytotoxic capacity was determined by MTT test and according to obtained results ligand L4 stands out as the most active and selective compound and as a good candidate for future in vivo testing. Further examination of the ligand L4 and corresponding complex C4 led to the conclusion that both induced cell death mainly by apoptosis. Ligand L4 facilitated cycle arrest in G0/G1 phase and decreased proliferative capacity of tumor cells. In vitro antimicrobial activity for ligands and corresponding Pd(II) complexes was investigated against eleven microorganisms (eight strains of pathogenic bacteria and three yeast species) using microdilution method. The minimum inhibitory concentration and minimum microbicidal concentration were determined.
The four new ligand and their pallladium(II) complexes were synthesized and characterized by elemental microanalysis, IR, 1H, 13C NMR spectroscopy. The interactions of complexes with HSA were determined and molecular doking simulation were performed. In vitro cytotoxic and antimicrobial activity were tested. Display omitted
•Four new ligand were synthesized by new method.•Four new palladium(II) complexes were synthesized.•Characterization was performed by IR, 1H and 13C NMR spectroscopy.•The interactions of complexes and molecular docking with HSA were investigated.•Cytotoxic and antimicrobial activities of all compaunds were evaluated.
The palladium(II) complex decreased viability of U251 human glioma and B16 mouse melanoma cells in a dose and time dependent manner, while its ligand exhibited only moderate cytotoxicity.
Display ...omitted
•New coumarine derivative and palladium(II) complex were synthesized.•Characterized by microanalysis, infrared, 1H and 13C NMR spectroscopy.•Monocrystal X-ray structural analysis and DFT calculations.•Cytotoxicity for ligand and complex is investigated.
The new coumarine derivative, 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione, and corresponding palladium(II) complex have been synthesized and characterized by microanalysis, infrared, 1H and 13C NMR spectroscopy. The structure of the ligand, solved using a monocrystal X-ray structural analysis, consists of two crystallographic different pseudocentrosymmetrically related molecules of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione, while the structure of the square-planar palladium(II) complex was proposed on the basis of DFT calculations. The palladium(II) complex decreased viability of U251 human glioma and B16 mouse melanoma cells in a dose and time dependent manner, while its ligand exhibited only moderate cytotoxicity.
Display omitted
•New coumarine derivatives and palladium(II) complexes were synthesized.•Characterized by microanalysis, infrared, 1H and 13C NMR spectroscopy.•Monocrystal X-ray structural analysis ...and DFT calculations.•Antimicrobial activity for ligands and complexes is investigated.
The five coumarin derivatives 3-(1-(2-hydroxypropylamino)ethylidene)-chroman-2,4-dione (L1), 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione (L2), 3-(1-(o-toluidino)ethylidene)-chroman-2,4-dione (L3), 3-(1-(m-toluidino)ethylidene)-chroman-2,4-dione (L4), 3-(1-(2-mercaptoethylamino)ethylidene)-chroman-2,4-dione (L5) and its corresponding complexes 3-(1-(2-hydroxypropylamino)-ethylidene)-chroman-2,4-dione-palladium(II) (C1), 3-(1-(phenylamino)-ethylidene)-chroman-2,4-dione-palladium(II) (C2), 3-(1-(o-toluidino)-ethylidene)-chroman-2,4-dione-palladium(II) (C3), 3-(1-(m-toluidino)ethylidene)-chroman-2,4-dione-palladium(II) (C4), 3-(1-(2-mercaptoethylamino)ethylidene)-chroman-2,4-dione-palladium(II) (C5), were synthesized and characterized with microanalysis, infrared, 1H and 13C NMR spectroscopy. The proposed structures of ligands L3 and L4 were confirmed on the basis of the X-ray structural study. The ligands and their complexes were tested for their in vitro antimicrobial activity against 17 species of bacteria and fungi. Testing is performed by the microdilution method, with the minimum inhibitory concentration (MIC) and the minimum microbicidal concentration (MMC) being determined.
