Jehad Zuhair Tayyeb, Shibam Mondal, Md Anisur Rahman, Swapon Kumar, Imren Bayıl, Shopnil Akash, Md Sarowar Hossain, Taha Alqahtani, Magdi E A Zaki, Jonas Ivan Nobre Oliveira
Gastric cancer is considered a class 1 carcinogen that is closely linked to infection with Helicobacter pylori (H. pylori), which affects over 1 million people each year. However, the major challenge to fight against H. pylori and its associated gastric cancer due to drug resistance. This research gap had led our research team to investigate a potential drug candidate targeting the Helicobacter pylori-carcinogenic TNF-alpha-inducing protein. In this study, a total of 45 daidzein derivatives were investigated and the best 10 molecules were comprehensively investigated using in silico approaches for drug development, namely pass prediction, quantum calculations, molecular docking, molecular dynamics simulations, Lipinski rule evaluation, and prediction of pharmacokinetics...
May 2024: Journal of Cellular and Molecular Medicine