Synthesis of a succession of new α‐aminophosphonates 4a‐j was achieved by the one‐pot three‐component Kabachnik‐Fields reaction by reacting equimolar quantities of 4‐morpholinoaniline (1), a variety of aromatic aldehydes 2a‐j and diethyl phosphite (3) using silica‐supported zinc bromide (ZnBr2‐SiO2) as a catalyst in solvent‐free conditions under microwave (MW) irradiation. Products 4a‐j were characterized by IR, 1H, 13C, 31P, NMR and mass spectral data. For these new set of compounds, two‐dimensional structures are drawn, three‐dimensional coordinates are generated and studied for their anti‐cancer activity against breast cancer. To support theoretical findings, experimental studies are performed using breast cancer cell lines. The results of these studies suggested that analogue, 4f has the maximum activity against breast cancer cells (MDA‐MB‐231). Since α‐aminophosphonates are less toxic compared to drugs currently available in the market, this new classes of drugs have very good potential for the treatment of Breast cancer.
Breast cancer has a rate of occurrence of one in nine. Aromatase also named estrogen synthase which is found to be associated with breast cancer and it has also been one of the targets for treatment and the current work explores the potentiality of a new heteroaryl a-aminophosphonates 9 a-j. The new heteroaryl a-aminophosphonates 9 a-j were synthesized using the reactions involving 2-aminobenzothiazole (6), various heteroaryl aldehydes 7 a-j and 2,3-dihydro[1, 3,2]oxazaphospholo[4, 5-b]pyridine-2-oxide (5). The QSAR (quantitative structure activity relationship) descriptors, PreADMET (adsorption, distribution, metabolism, excretion and toxicity) analysis and binding interaction simulation studies with X-Ray crystallographic structure of Aromatase have positively forwarded us for the cytotoxicity evaluation of the title compounds by Morphological study, Cell proliferation inhibition assay (MTT), Lactate dehydrogenase (LDH) assay and Hoechst staining (apoptosis). An improved apoptotic cell number was observed in Hoechst staining using compounds 9 e and 9 h further corroborated by LDH assay. Current work supports to conclude the promising ability of the title compounds to induce apoptosis through nuclear fragmentation of breast cancer cells by regulating their metabolic functions.[a] Dr.
Lopinavir (LPV) intermediate, a core unit of the HIV‐protease inhibitor is phosphorylated and screened for their binding efficacy with the Hemagglutinin‐Neuraminidase (HN) protein of Newcastle disease virus (NDV) and of VP7 protein of Bluetongue virus (BTV). The docking simulations were encouraged for their synthesis and screened their antiviral activity against NDV in the Chicken Embryonated eggs. The compounds which have exhibited higher binding energy were selected for antiviral evaluation on target pathogens such as NDV and BTV using in in ovo and in vitro methods. The results revealed that the compounds, 5a, 5b, 5i and 5j showed good activity against NDV and 5a, 5b, 5g and 5j exhibited noble antiviral activity against BTV in both in ovo and in vitro than the remaining title compounds.
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