Fullerene derivatives as lung cancer cell inhibitors: investigation of potential descriptors using QSAR approaches was written by Huang, Hung-Jin;Kraevaya, Olga A.;Voronov, Ilya I.;Troshin, Pavel A.;Hsu, Shan-Hui. And the article was included in International Journal of Nanomedicine in 2020.Recommanded Product: Methyl 2-thienylacetate This article mentions the following:
Background: Nanotechnol.-based strategies in the treatment of cancer have potential advantages because of the favorable delivery of nanoparticles into tumors through porous vasculature. Materials and Methods: In the current study, we synthesized a series of water-soluble fullerene derivatives and observed their anti-tumor effects on human lung carcinoma A549 cell lines. The quant. structure-activity relationship (QSAR) modeling was employed to investigate the relationship between anticancer effects and descriptors relevant to peculiarities of mol. structures of fullerene derivatives Results: In the QSAR regression model, the evaluation results revealed that the determination coefficient r2 and leave-one-out cross-validation q2 for the recommended QSAR model were 0.9966 and 0.9246, resp., indicating the reliability of the results. The mol. modeling showed that the lack of chlorine atom and a lower number of aliphatic single bonds in saturated hydrocarbon chains may be pos. correlated with the lung cancer cytotoxicity of fullerene derivatives Synthesized water-soluble fullerene derivatives have potential functional groups to inhibit the proliferation of lung cancer cells. Conclusion: The guidelines obtained from the QSAR model might strongly facilitate the rational design of potential fullerene-based drug candidates for lung cancer therapy in the future. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Recommanded Product: Methyl 2-thienylacetate).
Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Recommanded Product: Methyl 2-thienylacetate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics