Exploring the Untapped Potential of Marine Sponge Compounds as Anticancer Agents against ERα of Breast Cancer
Journal of Molecular Structure(2024)
Abstract
•Marine sponge derivatives are studied as an anticancer agent for breast cancer cells.•Residues involved in this interaction are characterized using molecular docking studies.•Molecular dynamic (MD) simulations over 120 nanoseconds were run.•MM/PBSA analysis are studied to mimic complex stability in aqueous environment.•Importantly, several screening filters were applied by assesing their ADMET properties.•The current in-silico findings are highly ecourging for in-vitro and/or wet lab analysis.
MoreTranslated text
Key words
Estrogen alpha receptor,Marine sponge,Molecular docking,Molecular dynamics,MM/PBSA
AI Read Science
Must-Reading Tree
Example
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined