By Sun Hongmao
This e-book won't be an exhaustive survey overlaying all facets of rational drug layout. in its place, it will supply serious knowledge via real-world examples. appropriate case stories should be provided and analyzed to demonstrate the subsequent: the best way to optimize a lead compound even if one has excessive or low degrees of structural details; how one can derive hits from rivals' lively compounds or from ordinary ligands of the pursuits; easy methods to springboard from rivals' SAR wisdom in lead optimization; the right way to layout a ligand to intrude with protein-protein interactions by means of appropriately interpreting the PPI interface; how one can steer clear of IP blockage utilizing info mining; find out how to build and entirely make the most of a knowledge-based molecular descriptor method; the way to construct a competent QSAR version by means of targeting facts caliber and correct choice of molecular descriptors and statistical ways. a realistic advisor to Rational Drug layout makes a speciality of computational drug layout, with in simple terms easy insurance of biology and chemistry concerns, corresponding to assay layout, objective validation and artificial routes. Read more...
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Extra info for A practical guide to rational drug design
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32, C). 32 Ribbon representations of human estrogen receptor α (colored in light grey) in complex with a full agonist E2 (A) (Protein Data Bank [PDB] ID: 1ERE), a partial agonist genistein and a coactivator peptide (PDB ID: 2QA8) (B), and an antagonist OHT (C) (PDB ID: 3ERT). Helix H12 is colored in red and coactivator helix in magenta. Structure-Based Ligand Design I45 a class of compounds called the selective estrogen receptor modulators, which assume tissue-selective activities of either agonist or antagonist against the ER.
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A practical guide to rational drug design by Sun Hongmao