Synthesis, characterization, crystal structures and biological screening of 4-amino quinazoline sulfonamide derivatives

Three quinazolin-4-ylamino derivatives containing phenylbenzenesulfonamides (7a-7c) were synthesized by reacting (E)-N'-(2-cyanophenyl)-N,N-dimethyl formamidine (6) with different 4- amino-N-(phenyl)benzenesulfonamides (4a-4c) and characterized by different techniques such as HRMS, IR, 1H NMR and 13C NMR spectroscopy. The structural properties were further examined by single crystal X-ray diffraction method. The X-ray data shows that compounds 7a and 7c contain two molecules and 7b contains one molecule in the asymmetric unit. Comparison of conformation of two distinct molecules, “A” and “B”, in the asymmetric unit of 7a and 7c were studied with the aid of reported literature. The in vitro antiproliferative activity of the compounds was tested against two breast cancer cell lines (MDA-MB-231 and MCF7). Compound 7b observed as a highest potent candidate against MDA-MB-231with IC50 of 5.44 µg/mL. Antimicrobial activity was also screened against bacterial and fungal strains. Compound 7a with chloro substitution was observed as the most potent candidate against the Gram-negative bacterial strains, whereas the compounds showed no significant activity against the fungal strain.peerReviewe

Synthesis, crystal structure and hirshfeld surfaces of 1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl) prop‑2-en-1-one

A new chalcone, 1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop‑2-en-1-one (3), was synthesized, characterized by spectroscopy (IR, 1H, 13C NMR, LC-MS) and single crystal X-ray diffraction method. The compound crystallizes in the monoclinic crystal system (space group C2/c) with unit cell dimensions a = 34.940(6) Å, b = 5.4090(9) Å, c = 16.668(3) Å, β = 108.400(8)°, Z = 8, and V = 2989.1(9) Å3. The dihedral angle between the terminal phenyl ring is 16.39 (10)o and intramolecular hydrogen bond of the type C-H…O is observed. The intermolecular hydrogen bonds (O-H…O and C-H…O) and short contacts of the type C-H…π were involved in the crystal structure stabilization. The O-H…O and C-H…O intermolecular hydrogen bond generates R22(18) and R22(14) ring motifs, respectively. The intercontacts in the crystal packing were analyzed using Hirshfeld surfaces method using 2D fingerprint plots and electrostatic potential surfaces. The major intercontact contributing to the Hirshfeld surfaces are found to be from H…H and C…H. In addition, the thermal analysis shows two-step degradation of the 3

Automated detection of chronic kidney disease using image fusion and graph embedding techniques with ultrasound images

Chronic Kidney disease (CKD) is a progressive disease affecting more than twenty million individuals in the United States. Disease progression is often characterized by complications such as cardiovascular diseases, anemia, hyperlipidemia and metabolic bone diseases etc., Based on estimated GFR values, the disease is categorized in 5 stages which significantly influence patient outcome. Cardiovascular ultrasound (US) (echocardiography) imagery demonstrate significant hemodynamic alterations that are secondary to CKD in the form of volume/ pressure overload. As the CKD pathology directly impacts cardiovascular disease, the US imaging shows structural and hemodynamic adaptation. Hence, the development of a computer-aided diagnosis (CAD) model to predict CKD would be desirable, and can potentially improve treatment. Several prior studies have utilized kidney features for quantitative analysis. In this paper, acquisition of the four-chamber heart US image is employed to predict CKD stage. The method combines image and feature fusion techniques under a graph embedding framework to characterize heart chamber properties. Moreover, a support vector machine is incorporated to classify heart US images. The proposed method achieved 100 % accuracy for a two-class system, and 99.09 % accuracy for a multi-class categorization scenario. Hence, our proposed CAD tool is deployable in both clinic and hospital settings for computer-aided screening of CKD