Molecular Docking Study, Synthesis and Characterization of New Hybrid Anthracene-Thiophene Compounds with Chalcone and Pyridine Scaffolds by Bakar, Bazri Izwan, Alidmat, Mohammad Murwih, Khairuddean, Melati, Wahyuningsih, Tutik Dwi

“…The molecular docking activities using AutoDock 4.2 software were performed to study the intermolecular interactions between these compounds with breast cancer protein, 3ERT as the estrogen receptor-α. Chalcone 1 showed free binding energy of -9.81 kcal/mol, while pyridine 2 exhibited better free binding energy of -10.45 kcal/mol against 3ERT protein. …”