Current Issue : July - September Volume : 2020 Issue Number : 3 Articles : 5 Articles
Isolation and characterization of new biologically active substances affecting cancer cells\nis an important issue of fundamental research in biomedicine. Trehalose lipid was isolated from\nRhodococcus wratislaviensis strain and purified by liquid chromatography. The effect of trehalose lipid\non cell viability and migration, together with colony forming assays, were performed on two breast\ncancer (MCF7-low metastatic; MDA-MB231-high metastatic) and one â??normalâ? (MCF10A) cell\nlines. Molecular modeling that details the structure of the neutral and anionic form (more stable at\nphysiological pH) of the tetraester was carried out. The tentative sizes of the hydrophilic...................
Abstract: The interactions between the DNA binding domain (DBD) of the tumor suppressor p53 and\nmiR4749, characterized by a high sequence similarity with the DNA Response Element (RE) of p53,\nwas investigated by fluorescence spectroscopy combined with computational modeling and docking.\nFluorescence quenching experiments witnessed the formation of a specific complex between DBD\nand miR4749 with an affnity of about 105 M. Förster Resonance Energy Transfer (FRET) allowed\nus to measure a distance of 3.9...................
A new Coronavirus strain, named SARS-CoV-2, suddenly emerged in early December\n2019. SARS-CoV-2 resulted in being dramatically infectious, with thousands of people infected. In\nthis scenario, and without effective vaccines available, the importance of an immediate tool to\nsupport patients and against viral diffusion becomes evident. In this study, we exploit the molecular\ndocking approach to analyze the affinity between different viral proteins and several inhibitors,\noriginally developed for other viral infections. Our data show that, in some cases, a relevant binding\ncan be detected. These findings support the hypothesis to develop new antiviral agents against\nCOVID-19, on the basis of already established therapies...
The synthesis of seventeen new 1,3-diaryl-5-oxo-proline derivatives as endothelin receptor\n(ETR) ligands is described. The structural configuration of the new molecules was determined by\nanalyzing selected signals in proton NMR spectra. In vitro binding assays of the human ETA and ETB\nreceptors allowed us to identify compound 31h as a selective ETAR ligand. The molecular docking of\nthe selected compounds and the ETA antagonist atrasentan in the ETAR homology model provided\ninsight into the structural elements required for the anity and the selectivity of the ETAR subtype....
Abstract: A one-pot, single-step, and an atom-economical process towards the synthesis of highly\nfunctionalized spirooxindoles analogues was efficiently conducted to produce a satisfactory chemical\nyields (70â??93%) with excellent relative diastereo-, and regio-selectivity. An in vitro antiproliferative\nassay was carried out on different cancer cell lines to evaluate the biological activity of the synthesized\ntetrahydro-1â??H-spiro[indoline-3,5â??-pyrrolo[1,2-c]thiazol]-2-one 5aâ??n. The prepared hybrids were\nthen tested in vitro for their antiproliferative effects against three cancer cell lines, namely, HepG2\n(liver cancer), MCF-7 (breast cancer), and HCT-116 (colon cancer). The spirooxindole analogue 5g\nexhibited a broad activity against HepG2, MCF-7, and HCT-116 cell lines of liver, breast, and colorectal\ncancers when compared to cisplatin. Modeling studies including shape similarity, lipophilicity scores,\nand physicochemical parameters were calculated. The results of this study indicated that spirooxindole\nanalogue 5g retained a good physiochemical parameters with acceptable lipophilicity scores....
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