Rapid discovery of new leads for difficult targets: application to CCK2 and 11beta-HSD1
نویسندگان
چکیده
We wanted to discover novel chemotypes for 2 targets which lacked x-ray data, CCK2 and 11beta-HSD1. Our approach was to undertake ligand-based virtual screening using the molecular fields of active compounds as our template to define activity. Our hypothesis was that the field pattern of an active molecule describes its key binding features and molecules with a similar field have a high probability of showing the same biological activity.
منابع مشابه
Discovery of novel inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
11beta-Hydroxysteroid dehydrogenases (11beta-HSDs) are key enzymes regulating the pre-receptor metabolism of glucocorticoid hormones, which play essential roles in various vital physiological processes. The modulation of 11beta-HSD type 1 activity with selective inhibitors has beneficial effects on various conditions including insulin resistance, dyslipidemia and obesity. Therefore, inhibition ...
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عنوان ژورنال:
دوره 2 شماره
صفحات -
تاریخ انتشار 2008