Bone Hydatid Cyst Disease

Hydatid cyst disease in bone is a rare one (0.5–2.5%) and 30% is seen in the pelvis. This disease is difficult to diagnose as symptoms are similar to the bone malignancy. Forty five years old female patient was admitted to another hospital with the complaints of pain in lower-right quadrant of the abdomen radiating to the right leg. She had a palpable mass in this region and was sent to our hospital with a prediagnosis of bone malignancies. During the physical examination, a mass about 8×10 cm semifixed to the right iliac bone was palpated. Serum tumor markers were within normal limits. Findings in magnetic resonance imaging was compatible with stage 3-4 hydatid cyst disease and also it was reported that cystadenocarsinoma should be considered in the differential diagnosis. Serological examination and fine needle aspiration biopsy were performed. Indirect hemagglutination test titer 1/2048(+) and biopsy results were consistent with hydatid cyst. Fifteen days prior to the surgery, the patient was given 10mg/kg albendazole treatment. Mass containing daughter vesicles caused bone destruction in iliac bone were totally scraped

A novel series of mixed-ligand M(II) complexes containing 2,2 '-bipyridyl as potent alpha-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

Diabetes mellitus (DM) is a common degenerative disease and characterized by high blood glucose levels. Since the effective antidiabetic treatments attempt to decrease blood glucose levels, keeping glucose under control is very important. Recent studies have demonstrated that alpha-glucosidase inhibitor improves postprandial hyperglycemia and then reduces the risk of developing type 2 diabetes in patients. Therefore, the design and synthesis of high affinity glucosidase inhibitors are of great importance. In this regard, novel series of mixed-ligand M(II) complexes containing 2,2 '-bipyridyl {[Hg(6-mpa)(2)(bpy)(OAc)]center dot 2H(2)O, (1), [Co(6-mpa)(2)(bpy)(2)], (2), [Cu(6-mpa)(bpy)(NO3)]center dot 3H(2)O, (3), [Mn(6-mpa)(bpy)(H2O)(2)], (4), [Ni(6-mpa)(bpy)(H2O)(2)]center dot H2O, (5), [Fe(6-mpa)(bpy)(H2O)(2)]center dot 2H(2)O, (6), [Fe(3-mpa)(bpy)(H2O)(2)]center dot H2O, (7)} were synthesized as potential alpha-glucosidase inhibitors. Their effects on alpha-glucosidase activity were evaluated. All synthesized complexes displayed alpha-glucosidase inhibitory activity with IC50 values ranging from 0.184 +/- 0.015 to > 600 mu M. The experimental spectral analyses were carried out using FT-IR and UV-Vis spectroscopic techniques for these complexes characterized by XRD and LC-MS/MS. Moreover, the calculations at density functional theory approximation were used to obtain optimal molecular geometries, vibrational wavenumbers, electronic spectral behaviors, and major contributions to the electronic transitions for the complexes 1-7. Finally, to display interactions between the synthesized complexes and target protein (the template structure Saccharomyces cerevisiae isomaltase), the molecular docking study was carried out

Synthesis, DFT calculations, α-glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate

Diabetes is one of the fastest growing global health crises of the 21st century. One of the current therapeutic approaches used in the treatment of diabetes involves the suppression of carbohydrate hydrolyzing enzymes such as α-glucosidase. In this context, α-glucosidase inhibitors are important in the treatment and prevention of diabetes. For this reason, new Schiff base complexes including isothiocyanate {[Cd(L1)2(NCS)2], (1), [Zn(L1)2(NCS)2], (2), [Cu (L1)2(NCS)2], (3), [Ag(L1)(NCS)2], (4), [Hg(L1)2(NCS)Cl], (5); L1: N-(pyridin- 2-ylmethylene)methanamine} were synthesized to investigate α-glucosidase inhibitor potentials. The IC50 values of complexes 1–5 were found at 0.2376 ± 0.82 and 251.403 ± 2.54-μM range. Among these complexes, complex 5 has the highest α-glucosidase inhibitor property. The spectral investigations for the complexes 1/2–5 characterized by XRD/LC-HRMS were performed by UV–Vis and FT–IR spectra. Furthermore, the TD-DFT/DFT calculations were fulfilled by using CAM-B3LYP and ωB97XD/6–311+G(d,p)//LanL2DZ levels to obtain optimum complex structures, spectral, linear and nonlinear optical properties for 1–5. According to obtained theoretical nonlinear optical results, complex 3 is a strong indicator in terms of microscopic nonlinear optical (NLO) properties. The docking studies of these complexes were examined to display the target protein interactions with these complexes

Three novel Cu(II), Cd(II) and Cr(III) complexes of 6-Methylpyridine-2-carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and alpha-Glucosidase inhibition studies

Novel complexes of 6-methylpyridine-2-carboxylic acid and thiocyanate ([Cu(NCS)(6-mpa)(2)], (1); [Cd(NCS)(6-mpa)](n), (2); [Cr(NCS)(6-mpa)(2)center dot H2O], (3)} were synthesized, and their structures were characterized by XRD analysis, FT-IR and UV-Vis spectroscopic techniques. The inhibitory activities of the synthesized complexes (1-3) on alpha-glucosidase were determined by using genistein reference compound. Furthermore, the optimized geometry and vibrational harmonic frequencies for the complexes 1-3 were obtained by DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level. Electronic spectral properties were examined by using TD-DFT/FISEh1PBE/6-311G(d,p)/LanL2DZ level with CPCM model. Additionally, major contributions to the electronic transitions were determined via Swizard program. The refractive index, linear optical and non-nonlinear optical parameters of the complexes 1-3 were investigated at HSEh1PBE/6 -311G(d,p) level. The docking studies of the complexes 1-3 to the binding site of the target protein (the template structure S. cerevisiae isomaltase are fulfilled. Lastly, natural bond orbital analysis was used to investigate inter- and intra-molecular bonding and interaction among bonds. (C) 2018 Elsevier Ltd. All rights reserved

A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking

Novel complexes of 6-methylpyridine-2-carboxylic acid and 4(5)methylimidazole, namely [Mn(6-mpa)(2)(4(5)MeI)(2)] (1), [Zn(6-mpa)(2)(4(5)MeI)(2)] (2), [Cd(6-mpa)(2)(4(5)MeI)(2)] (3), [Co(6-mpa)(2)(4(5)MeI)(2)] (4), [Ni(6-mpa)(2)(4(5)MeI)(OAc)] (5) and [Cu(6-mpa)(2)(4(5)MeI)] (6), were synthesized for the first time. The structures of complexes 1-4 and complexes 5 and 6 were determined using X-ray diffraction and mass spectrometric techniques, respectively. The experimental spectral analyses for these complexes were performed using Fourier transform infrared and UV-visible techniques. The alpha-glucosidase inhibition activity values (IC50) of complexes 1-6 were identified in view of genistein reference compound. Moreover, the DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level was used to obtain optimal molecular geometry and vibrational wavenumbers for complexes 1-6. Electronic spectral behaviours and major contributions to the electronic transitions were investigated using TD-DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level with conductor-like polarizable continuum model and SWizard program. Finally, in order to investigate interactions between the synthesized complexes (1-6) and target protein (template structure S. cerevisiae isomaltase), a molecular docking study was carried out

Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, alpha-glucosidase inhibition, DFT calculations, and molecular docking

Novel Cu(II), Co(II) and Zn(II) metal complexes containing 6-methylpyridine-2-carboxylic acid and 2,2'-dipyridylamine {[Cu(6-mpa)(dipya)(OAc)] center dot 3H(2)O (1), [Co(6-mpa)(dipya)Cl-2]center dot 2H(2)O (2), [Zn(6-mpa)(2)(dipya)] (3)} were synthesized for the first time. Their structural and spectroscopic analyses were performed by XRD, LC-MS/MS, FT-IR and UV-Vis spectroscopic techniques. The DFT/HSEh1PBE/6 -311G(d,p)/LanL2DZ level was also used to obtain optimal molecular geometry, vibrational wave-numbers, electronic spectral behaviors and major contributions to the electronic transitions for the complexes 1-3. Their effects on alpha-glucosidase activity were evaluated. All complexes inhibited alpha-glucosidase with the IC(50 )values ranging from 513.10 to >600 mu M. Finally, in order to display interactions between the synthesized complexes (1-3) and target protein (the template structure S. cerevisiae isomaltase), the molecular docking study was fulfilled. (C) 2019 Elsevier B.V. All rights reserved

Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, -Glucosidase nhibition and TD/DFT Study

.Co(II) complexes of 2-picolinic acid (picH) and 6-methylpyridine-2-carboxylic acid (6-MepicH) {[Co(pic)2·2H2O], (1), [Co(6-Mepic)(pic)·2H2O], (2)} were obtained and their structural and spectroscopic properties were investigated by XRD, FT–IR and UV–Vis spectroscopic techniques. The measurement of α-glucosidase inhibition of the synthesized complex 2 was fulfilled by IC50 values. In order to provide further explanations about the electronic spectral properties, TD–DFT calculations in ethanol solvent and gas phase were carried out. HSEh1PBE/6-311G(d,p) level has been used to calculate the nonlinear optics (NLO) parameters and frontier molecular orbital (FMO) energies. The experimental refractive indexes and optical band gap energies for the Co(II) complexes have been obtained using FT–IR and UV–Vis spectra, respectively. Lastly, the molecular docking study of Co(II) complexes was carried out in order to demonstrate interactions between the synthesized complexes and target protein (the template structure S. cerevisiae isomaltase)

Is there any role of thrombin activatable fibrinolysis inhibitor in the development of a hypercoagulable state in gastric cancer

Abstract Background The purpose of this study was to investigate plasma levels of thrombin activatable fibrinolysis inhibitor (TAFI) and TAFI’s relationship with coagulation markers (prothrombin fragment 1 + 2) in gastric cancer patients. Methods Thirty-three patients with gastric adenocarcinoma and 29 healthy control subjects were prospectively enrolled in the study. Patients who had a history of secondary malignancy, thrombosis related disease, oral contraceptive use, diabetes mellitus, chronic renal failure or similar chronic metabolic disease were excluded from the study. A fasting blood sample was drawn from patients to determine the plasma levels of TAFI and Prothrombin Fragment 1 + 2 (F 1 + 2). In addition, data on patient age, sex, body mass index (BMI) and stage of disease were recorded. The same parameters, except stage of disease, were also recorded for the control group. Subsequently, we assessed the difference in the levels of TAFI and F 1 + 2 between the patient and control groups. Moreover, we investigated the relation of TAFI and F 1 + 2 levels with age, sex, BMI and stage of disease in the gastric cancer group. Results There were no statistical differences in any demographic variables (age, gender and BMI) between the groups (Table 1). The mean plasma TAFI levels of the gastric cancer group (69.4 ± 33.1) and control group (73.3 ± 27.5) were statistically similar (P = 0.62). The mean plasma F 1 + 2 level in the gastric cancer group was significantly higher than for those in the control group (549.7 ± 325.3 vs 151.9 ± 67.1, respectively; P  Conclusion In our study, TAFI levels of gastric cancer patients were similar to healthy subjects. The results of our study suggest that TAFI does not play a role in pathogenesis of the hypercoagulable state in gastric cancer patients.</p

A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations

A new dinuclear copper (II) complex of 2,5-furandicarboxyclic acid with 4(5)-methylimidazole, [Cu (FDCA)((4(5)MeI)(2)](2)center dot 2H(2)O, was synthesized, and its structure characterized by XRD, FT-IR and UV-Vis spectroscopic techniques. The alpha-glucosidase inhibition and cytotoxicity study of the synthesized Cu (II) complex were determined by IC50 values. The optimized geometry and vibrational harmonic frequencies for the Cu (II) complex were obtained by using Density Functional Theory (DFT) of HSEh1PBE/6-311++G(d,p)/LanL2DZ level. TD-DFT/HSEh1PBE/6-311++G(d,p)/LanL2DZ level with CPCM model was applied to examine the electronic spectral properties and major contributions were determined via Swizard program. To investigate linear and nonlinear optical behavior of the synthesized Cu (II) complex, the alpha, Delta alpha and chi((1))/beta, gamma and chi((3)) parameters called linear/nonlinear optical parameters in gas phase and ethanol solvent were computed at the same level and basis set. Furthermore, molecular electrostatic potential (MEP) surface was determined by using the same level. The docking study of the Cu (II) complex to the binding site of the target protein (the template structure S. cerevisiae isomaltase) is fulfilled. Natural bond orbital (NBO) analysis was used to investigate the hyperconjugative interactions, inter- and intra-molecular bonding and to determine coordination around Cu (II) ion. Finally, present work is the first remarkable scientific report of mixed-ligand (H(2)FDCA and 4(5)MeI) Cu (II) complex as novel drug candidate for DM II. It is also determined that microscopic third-NLO parameters for the Cu (II) complex is remarkable