Synthesis, Anticancer, Antioxidant, Anti-Inflammatory, Antimicrobial Activities, Molecular Docking, and DFT Studies of Sultams Derived from Saccharin

A series of N-substituted saccharins namely 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl) acetonitrile (2) and (alkyl 1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl) acetate (3a–g) were synthesized, in moderate to excellent yields, from commercially available starting materials by two different approaches and their chemical structures were characterized by spectroscopic techniques (1H-NMR, 13C-NMR, IR, and MS). All the synthesized compounds were evaluated for their anti-inflammatory toward IL-6 and TNF-α, antioxidant, as well as their anticancer activities against hepatic cancer cells. In addition, their anti-fungal and antibacterial activities against both Gram-positive and Gram-negative bacteria were tested. All the tested compounds have exhibited excellent (3a, d, e) to moderate anti-inflammatory activity. Additionally, esters (3b, f) and nitrile (2) showed excellent antioxidant activity. Furthermore, ester 3f, with isopropyl ester, exhibited the highest cytotoxic activity compared to the other esters. Moreover, all compounds were evaluated as selective inhibitors of the human COX-1 enzyme using molecular docking by calculating the free energy of binding, inhibition constant, and other parameters to find out the binding affinity. The molecular study showed that esters (3d, f) and nitrile (2) revealed the highest binding affinities, hence enhancing the inhibition activity with the active site of the COX-1 enzyme. All the tested compounds have more negative Gibbs free, electrostatic, and total intermolecular energies than the standard inhibitor ASA. These results indicate that, all the tested sultams are potent anti-inflammatory drugs as compared to standard inhibitors. Finally, the chemical properties and the quantum factors of synthesized sultams were calculated based on density functional theory (DFT) to predict reactivity, and then correlated with the experimental data. Ester 3f showed the lowest ionization potential and lowest energy gap (Egap = 7.5691 eV), which was correlated with its cytotoxic activity. Furthermore, the spatial electron distribution of HOMO, LUMO were computed and it clearly indicates the electron donation ability of all the tested compounds

Mineral Changes in the Blood of Ovariectomized Mice after Treatment with β-Sitosterol

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Linearly-pi-extended porphyrins: Synthesis of novel tetrabenzoylporphyrins

The pi-extended porphyrins 11a-c with a lambda(max) = 644, 643 and 639 nm were synthesized by an acid catalysed reaction of the dipyrrolylmethane 10 with different aldehydes followed by oxidation with 2,3-dichloro-5,6-dicyano-1,4-quinone (DDQ). In a second approach, 10 was decarboxylated to yield 12, which was treated with DMF and benzoylchloride to give the diformyl compound 13. Acid catalysed reaction of 12 and 13 led to the porphyrin 11a after oxidation

Diagnostic accuracy of D-dimer assay in suspected pulmonary embolism patients

Background: Pulmonary embolism (PE) is a frequent and potentially severe disease. So objective testing is required to establish or exclude the presence of pulmonary embolism. Aim: This study was carried out to evaluate the diagnostic accuracy of D-dimer test in suspected pulmonary embolism patients. Patients and Methods: This study was carried out on 30 patients with clinical and radiological signs suspicious of PE. All cases were subjected to the following: evaluation of clinical probability by Revised Geneva Score, plain chest X-ray, CT pulmonary angiography (CTPA), electrocardiographic examination, arterial blood gases analysis, calculated alveolar arterial oxygen (PA-aO2) gradient, duplex ultrasonographic, D-dimer assay, and measurement of partial end tidal carbon dioxide (PetCO2). Results: PE confirmed in 22 cases by CTPA, 20 cases of PE (91%) had positive D-dimer and 2 cases (9%) had negative D-dimer test. The sensitivity, specificity and accuracy of D-dimer in diagnosis of PE were (90%, 37.5%, and 26.6%) respectively. The sensitivity of D-dimer in evaluation of PE when clinical probability of PE low or intermediate was (100%), its specificity was (37.5%), its negative predictive value (NPV) was (100%) and its positive predictive value (PPV) was (67.7%), while in high clinical probability its sensitivity was (83.3%), specificity was (100%) and its PPV was (100%). There was statistically significant difference among the negative and positive PE cases as regards the PetCO2 result (P < 0.05). The sensitivity of PetCO2 in diagnosis of PE was (68%) its specificity was (87.5%), NPV was (50%) and its PPV was (93.7%). Conclusion: D-dimer alone cannot exclude or confirm the presence of PE. The combination of D-dimer, PetCO2 ⩽28.5 mmHg and the clinical probability could improve diagnostic accuracy in patients with suspected PE