Analogical approach drug design

GR Marshall, CD Barry, HE Bosshard, RA Dammkoehler, DA Dunn. The conformational parameter m drug design The active analog approach. ACS Symp Ser 112 205-226, 1979. YC Martin. Overview of concepts and methods in computer-assisted rational drug design. Methods Enzymol 203 587-613, 1991. 

Marshall GR, Barry CD, Bosshard HE, Dammkoehler RA, Dunn DA. The conformational parameter in drug design The active analog approach. Computer-assisted drug design. ACS Symposium Series 112. Washington DC American Chemical Society, 1979. p. 205-26. 

Inhibition of enzymatic reactions by transition state analogs has been an extremely important approach for drug design [20], the principle underlying this is that "nature has developed enzymes for binding efficiently to the transition states of the reactions they catalyse". 

Marshall, G.R., Barry, C.D., Bosshard, H.E., Dammkoehler, R.A., Dunn, D.A. The conformational parameter in drug design the active analog approach. In Computer-Assisted Drug Design, Olson, E.C. Christoffersen, R.E. (eds). American Chemical Society, Washington, DC, 1979, 205-226. 

Furthermore, we believe that our hypothesis regarding design of antagonist analogs with prolonged activity offers a potentially useful approach to peptide drug design. 

Although a determination of the structure of bioactive molecules is of key importance, there are distinct limitations on the use of solution structures for drug design. In particular, unless the molecule is rigid there is no certainty that the solution conformation is the same as the bioactive bound conformation. For this reason there has been a shift over recent years to approaches in which information about the bound state is obtained. The other approach has been to probe the bound conformation by making a range of constrained analogs of a flexible lead molecule, as illustrated earlier for endothelin. 

D. A. The conformational parameter in drug design the active analog approach. In Computer-assisted Drug Design. (Eds., Olson, E, C., and Christofferson, R. 

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