By Donald J. Abraham
This can be quantity 2: Drug Discovery and Drug Development, of Burger's Medicinal Chemistry and Drug Discovery, sixth variation. This new quantity comprises serious new chapters on Combinational Chemistry and a number of Parallel Synthesis, excessive Throughput Pharmacology, and Retrometabolism-Based Drug layout and concentrating on.
To buy the whole 6 quantity set, please seek advice from ISBN 0-471-37032-0.
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Additional info for Burger's Medicinal Chemistry and Drug Discovery, Drug Discovery and Drug Development (Volume 2)
97 suggests that hydrophobicity is more important in this area. 2 Interactions at the Cellular Level QSAR analysis of studies at the cellular level allows us to get a handle on the physicochemical parameters critical to pharmacokinetics processes, mostly transport. Cell culture systems offer an ideal way to determine the optimum hydrophobicity of a system that is more complex than an isolated receptor. Extensive QSAR have been developed on the toxicity of 3-X-triazines to many mammalian and bacterial cell lines (202, 209).
C . Hansch and A. Leo, Substituent Constants for Correlation Analysis in Chemistry and Biology, John Wiley & Sons, New York, 1979. References 2. D. J. Livingstone, J. Chem. Znf. Comput. , 40,195 (2000). 3. C. Hansch, A. Kurup, R. Garg, and H. Gao, Chem. , 101,619 (2001). 4. H. Kubinyi in M. , Burger's Medicinal Chemistry and Drug Discovery, Volume 1: Principles and Practice, John Wiley & Sons, New York, 1995, p. 497. 5. A. Crum-Brown and T. R. Fraser, Trans. R. Soc. Edinburgh, 25, 151 (1868). 6.
Nevertheless, sterics are of overwhelming importance in ligand-receptor interactions as well as in transport phenomena in cellular systems. The first steric parameter to be quantified and used in QSAR studies was Taft's Es constant (157). Es is defined as where k , and k , represent the rates of acid hydrolysis of esters, XCH,COOR and CH,COOR, History of Quantitative Structure-Activity Relationships respectively. 306 is a constant derived from molecular orbital calculations (158). Unfortunately, the limited availability of Es and E s C values for a great number of substituents precludes their usage in QSAR studies.