Design, docking, MD simulation and in-silco ADMET prediction studies of novel indole-based benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy


	Redocking poses of the cocrystal ligand EST (PDB ID: 3UUD). Natural pose (orange) and self-docking pose (magenta) of EST (RMSD: 0.078).

Part of: Warude BJ, Wagh SN, Chatpalliwar VA, Yildirim M, Celik I, Rudrapal M, Khan J, Chinnam S, Garud AA, Neharkar VS (2023) Design, docking, MD simulation and in-silco ADMET prediction studies of novel indole-based benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy. Pharmacia 70(2): 307-316. https://doi.org/10.3897/pharmacia.70.e100356