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Uploaded byDr Vysakh Mohan M
Structure based and ligand based drug designing
This document discusses structure-based and ligand-based drug design approaches. Structure-based design uses the 3D structure of biological targets to dock potential drug molecules. Ligand-based design analyzes similar molecules that bind to the target to derive pharmacophore models or quantitative structure-activity relationships (QSAR) to predict new candidates. Specific structure-based methods covered include docking tools like AutoDock and CDOCKER, and accounting for protein and complex flexibility. Ligand-based methods discussed are QSAR techniques like Comparative Molecular Field Analysis (CoMSIA) and Field Analysis (CoMFA). In conclusion, computational approaches like these are valuable for drug discovery by facilitating the identification and testing of new ligand
