Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity was written by Eric, Slavica;Ke, Song;Barata, Teresa;Solmajer, Tom;Antic Stankovic, Jelena;Juranic, Zorica;Savic, Vladimir;Zloh, Mire. And the article was included in Bioorganic & Medicinal Chemistry in 2012.Product Details of 562085-85-2 The following contents are mentioned in the article:
A set of 16 previously synthesized aryl-aminopyridine and aryl-aminoquinoline derivatives have been evaluated for cytotoxic activity against three cancer cell lines (human cervical cancer-HeLa; human chronic myeloid leukemia-K562; human melanoma-Fem-x) and two types of normal peripheral blood mononuclear cells, with and without phytohemagglutinin (PBMC – PHA; PBMC + PHA). Twelve of the studied compounds showed moderate cytotoxicity, with selectivity against K562 but not the remaining two cancer cell lines. Four compounds were not active in cytotoxicity assays, presumably due to high predicted lipophilicity and low solubility To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliog. references The putative targets were identified on the basis of the best correlation between docking scores and in vitro cytotoxicity. It is proposed that the mechanism of action of the studied aminopyridines involves the disruption of signaling pathways and cancer cell cycle through the inhibition of cyclin-dependent kinases and several tyrosine kinases, namely Bcr-Abl kinase and KIT receptor kinase. The obtained results can guide further structural modifications of the studied compounds aimed at developing selective agents targeting proteins involved in cancer cell survival and proliferation. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2Product Details of 562085-85-2).
N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Product Details of 562085-85-2
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem