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Estrogen - Astrophysics Data System

Summarized by Plex Scholar
Last Updated: 13 August 2022

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Design, synthesis, bioevaluation, DFT, docking, and molecular dynamic simulation for selected novel 1,3,4-Oxadiazole - indole derivatives hybrid against estrogen receptor alpha

Breast tumors overexpress ER alpha and it begins, as well as breast cancer progression. Studies have shown that anti-estrogen therapy can be used to treat breast cancer. For the first time, in vitro bioevaluation, molecular docking, and DFT experiments were used to investigate the estrogen receptor alpha's key functions with tested new 1,3,4-Oxadiazole - indole derivatives hybrid against Triple Negative Breast Cancer cell lines, the estrogen receptor alpha was present in vitro. Human Estrogen Receptor alpha assay resulted in an IC 50 value of 5. 27 u03bcM for compound 3d. The electrostatic potential map was used to investigate the molecule's energy transport and chemical reactive regions. To investigate the stable binding of 3d to estrogen receptor alpha, molecular dynamics trajectories is required. Overall, the findings indicate that 3d has the ability to be investigated further into metastatic breast cancer treatment.

Source link: https://ui.adsabs.harvard.edu/abs/2022JMoSt126933789S/abstract

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions