MATEC Web of Conferences
Volume 22, 2015International Conference on Engineering Technology and Application (ICETA 2015)
|Number of page(s)||10|
|Section||Chemical and Industrial Technology|
|Published online||09 July 2015|
Synthesis, Biological Evaluation and Molecular Docking Studies of Ferrocene Derivatives Coupling with N-heterocyclic on Human Breast Cancer
School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, China
* Corresponding author: firstname.lastname@example.org
A series of heterocyclic ferrocene derivatives (Fc1–Fc18) was designed and synthesized. The eight representative target compounds were evaluated for their antitumor activities against human breast cancer (MCF-7) cells using MTT assay. Compounds Fc3, Fc11, Fc12, and Fc17 inhibited MCF-7 cells at IC50 values of 39.2, 44.2, 48.3, and 24.2 (μmol/L). In the eight heterocyclic ferrocene derivatives, results indicated that they had a pyridine group and produced ester which is more effective in inhibiting MCF-7 cells than that of amide-producing heterocyclic ferrocene derivatives without a pyridine group. Docking simulation was also performed to position compounds into the human enzyme aromatase (AR, CYP19) active site adequately to explain the probable reasons why the compounds have antitumor activities. The authors observed that compound Fc17, which had the highest affinity to the receptor, was stabilized by two respective hydrogen bonds with Thr310 and Ser314.
Key words: ferrocene heterocyclic derivative / antitumor activity / MCF-7 cell / enzyme aromatase
© Owned by the authors, published by EDP Sciences, 2015
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.