Rules of Thumb for Structure-Based Drug Design

8 Rules of Thumb for Structure-Based Drug Design 

Study the structural details in the context of biochemical pathways, recognize role of solvent, and cofactors in the binding process while performing docking studies. 

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In the initial stages of any stmctnie-based drag design project, always choose a well-validated taiget with known inhibitors and a good X-ray structure of resolution more than 2 A and an R valne of 0.2. Poorly resolved crystal stractnres may not have easily distingnishable isoelectronic gronps in molecnles. 

Always be eareful while selecting the docked poses. Remember that the best-doeked eonformation need not be the closest one to the native bioactive eonfor-mation. 

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