In silico analysis approach for screening new agents for breast cancer inhibitors based on 1,5-benzothiazepine

• Principais autores: Neni Frimayanti (Autor), Marzieh Yaeghoobi (Autor), Hamid Namavar (Autor), Mashitoh Cindy Utari (Autor), Meiriza Djohari (Autor), Cindy Oktaviana Laia (Autor)
• Formato: Livro
• Publicado em: Faculty of Pharmacy, Mahidol University, 2022-09-01T00:00:00Z.
• Assuntos: article
• Acesso em linha: Connect to this object online.

Combination of similarity searching with docking and molecular dynamic simulations were performed. In this study, chalcone-based 1,5-benzothiazepine compound (i.e. MA9) was used as parent compound, since it exhibits potential enhancement and improvement of biological activity over doxorubicin (i.e....