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B Pharm Computer Aided Drug Design Unit 2 PDF Notes


Last Bench Pharmacists, get ready to unlock the power of B Pharm Computer Aided Drug Design Unit 2 PDF Notes! Buckle up as we explore how numbers predict drug activity, going beyond trial-and-error. Imagine understanding the relationship between a drug's structure and its effectiveness, guiding the design of better medications. We'll compare QSAR to its simpler cousin, SAR, and delve into its rich history. Feeling curious about the data? Master different ways to measure a drug's properties, like its ability to pass through cell membranes. We'll then unveil powerful QSAR techniques like Hansch and Free Wilson analysis, helping you predict activity based on structural features. But it's not just 2D; dive into the exciting world of 3D-QSAR like COMFA and COMSIA, considering the drug's 3D shape for even more accurate predictions. By the end of this unit, you'll be a QSAR whiz, equipped to design drugs with optimal activity, paving the way for personalized medicine!


B Pharm Computer Aided Drug Design Notes
B Pharm Computer Aided Drug Design Notes

B Pharm Computer Aided Drug Design Unit 2 PDF Notes


Unit 2


Quantitative Structure Activity Relationship (QSAR)

SAR versus QSAR, History and development of QSAR, Types of physicochemical parameters, experimental and theoretical approaches for the determination of physicochemical parameters such as Partition coefficient, Hammet’s substituent constant and Tafts steric constant. Hansch analysis, Free Wilson analysis, 3D-QSAR approaches like COMFA and COMSIA.



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