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Structure based drug design of cytochrome P450 family 1 inhibitors

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Document pages: 21 pages

Abstract: Cytochrome P450 is a kind of metalloprotein, which is responsible for electron transfer in a series of reactions including metabolic biotransformation of endogenous and exogenous substrates. The cytochrome P450 superfamily consists of families and subfamilies with specific structure and substrate specificity. Cytochrome P450 family 1 (cyp1s) plays a unique role in the metabolism of drugs and chemical carcinogens. In recent decades, these blood proteins have been deeply studied by using calculation methods. These calculation methods have been significantly developed recently. They can be used in the process of drug design to find drugs with required properties through virtual screening compounds. In addition, molecular simulation of proteins and ligandsocking to their active sites provide an insight into the mechanism of enzyme action and enable us to predict the sites of drug metabolism. The review presents the current status of knowledge about the use of the computational approach in studies of ligand-enzyme interactions for CYP1s. Research on the metabolism of substrates and inhibitors of CYP1s and on the selectivity of their action is particularly valuable from the viewpoint of cancer chemoprevention, chemotherapy, and drug-drug interactions.

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