Update on computer-aided drug design.
Recent advances in computational methods for drug design include developments in quantitative structure-activity relationship approaches as well as novel structure-based strategies. Many new protein structures of pharmaceutical interest have been solved, a number of which contain a bound inhibitor. Continued progress has been reported in algorithms for de novo design, ligand docking, and scoring of protein-ligand binding energy. Meanwhile, several drugs that were designed by intensive use of computational methods are advancing through clinical trials.
Agouron Pharmaceuticals Inc, San Diego, USA.
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D001709:Biotechnology / Q000639:trends; D017076:Computer-Aided Design / Q000639:trends*; D015195:Drug Design; D006801:Humans; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D015394:Molecular Structure; D016571:Neural Networks, Computer; D011506:Proteins / Q000737:chemistry; D013329:Structure-Activity Relationship
D008024:Ligands; D011506:Proteins