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- W2942805943 endingPage "88" @default.
- W2942805943 startingPage "63" @default.
- W2942805943 abstract "This chapter will focus on today's in silico direct and indirect approaches to assess therapeutic target druggability. The direct approach tries to infer from the 3D structure the capacity of the target protein to bind small molecule in order to modulate its biological function. Algorithms to recognize and characterize the quality of the ligand interaction sites whether within buried protein cavities or within large protein-protein interface will be reviewed in the first part of the paper. In the case a ligand-binding site is already identified, indirect aspects of target druggability can be assessed. These indirect approaches focus first on target promiscuity and the potential difficulties in developing specific drugs. It is based on large-scale comparison of protein-binding sites. The second aspect concerns the capacity of the target to induce resistant pathway once it is inhibited or activated by a drug. The emergence of drug-resistant pathways can be assessed through systemic analysis of biological networks implementing metabolism and/or cell regulation signaling." @default.
- W2942805943 created "2019-05-09" @default.
- W2942805943 creator A5057208162 @default.
- W2942805943 creator A5079310857 @default.
- W2942805943 date "2019-01-01" @default.
- W2942805943 modified "2023-09-25" @default.
- W2942805943 title "In Silico Target Druggability Assessment: From Structural to Systemic Approaches" @default.
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