The National Cancer Institute (NCI) Human Tumor Cell Line Anti-Cancer Drug Screen has evaluated the cytotoxicity profiles of a large number of synthetic compounds, natural products, and plant extracts on 60 different cell lines. The data for each compound/extract can be assessed for similarity of cytotoxicity pattern, relative to a given test compound, using an algorithm called COMPARE. In appl...

COVID-19 pandemic is the biggest public health problem of century so far.The main protease (Mpro) one enzymes studied as a pharmacological target. In this context, present work aimed to perform virtual screening possible inhibitors against enzyme Mpro, having limonoids object research supposed inhibitors. Molecular docking simulations indicated that have an affinity complex with M-pro.However, ...