تحديد فارماكوفور بعض المركبات المثبطة لإنزيم كرياتين كيناز 2 من عائلة الفلافونوئبدات

الملخص EN

Inhibition of human Creatin Kinase 2(CK2) is one of the most important and promising biological targets for developing anti-cancer drugs.

Although many inhibitors of CK2 have been developed, only one compound has reached phase ǁ of clinical trials, and no one has been approved as a drug, so the development of novel inhibitors of this enzyme has been an urgent and promising target with the aim of developing effective treatments for some cancers.

In this study, we developed the pharmacophore map of flavonoid family using MOE program(Molecular Operating Environment).

The resulting pharmacophore was validated using a database consisting of 73 flavonoids with different activities (some compounds are not effective and others have high, moderate, and low activity).

The resulting pharmacophore defines different features that are necessary for binding with CK2, beside the ability to use it as a tool for virtual screening of electronic libraries searching for new promising compounds.