By Donald J. Abraham
This is often quantity 1: Drug Discovery, of Burger's Medicinal Chemistry and Drug Discovery, sixth variation. This new quantity includes serious new chapters on digital Screening, Bioinformatics and Chemical details Computing structures in Drug Discovery.To buy the complete 6 quantity set, please discuss with ISBN 0-471-37032-0.For an entire checklist of articles and individuals in addition to loose pattern chapters from this new sixth variation please stopover at: www.mrw.interscience.wiley.com/bmcdd
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Extra resources for Burger's Medicinal Chemistry and Drug Discovery, Drug Discovery (Volume 1)
The binding site of the protozoal and fungal species comprises an extensive hydrophobic surface unlike the abbreviated pockets in the mammalian and avian enzymes. The positive coefficients with the MR, terms suggests that added bulk on the bridged phenyl ring enhances inhibitory potency. The study versus T. 87) included a number of mostly small, polar substituents (NH,, NO,, CONMe,) on the bridged phenyl and their activities were considerably lower than the unsubstituted analog. Comparative QSAR can be useful, particularly if the biological data are consistent (tested under the same assay conditions, excellent purity of enzymes, substrates, inhibitors, buffers), and the choice of substituents is appropriate.
Steroidal inhibitors of 5a-redudase. 98) 5, X = 4-t-Bu In all these equations, the coefficients with hydrophobicity as represented by Clog P, suggest that binding of these azaandrostene-ones occurs on the surface of the binding site where partial desolvation can occur. I is an indicator variable that pinpoints the negative effect of a double bond at C-1. 97). The bulky ortho substituents (mostly t-Bu) may destroy coplanarity with the amide bridge by perhaps twisting of the phenyl ring and enhancing its hydrophobic contact with the 5 Applications of QSAR binding site on the enzyme.
Zheng, and A. Tropsha, Pac. Symp. , 305 (1998). 31. H. Gao and J. Bajorath, J. Mol. Diversity, 4, 115 (1999). 32. H. Gao, C. Williams, P. Labute, and J. Bajorath, J. Chem. Znf. Comput. , 39, 164 (1999). 33. W. J. DunnIII, S. Wold, U. Edlund, S. Hellberg, and J. Gasteeger, Quant. -Act. , 3, 131 (1984). 34. J. Langley, J. , 1, 367 (1878). 35. P. Ehrlich, Klin. , 6, 299 (1897). 36. J. N. Langley, J. , 33,374 (1905). 37. M. Famulok, Curr. Opin. Struct. , 9, 324 (1999). 38. K. Y. Wang, S. Swaminathan, and P.
Burger's Medicinal Chemistry and Drug Discovery, Drug Discovery (Volume 1) by Donald J. Abraham