Peptidomimetics, conformational analysis

Monte-Carlo conformational analysis of the peptidomimetic perhydropyrazino[l,2-tf]pyrimidine 32a was performed using the MacroModel V 6.0 program <1999JA12204> and for 32 (R = H R" = (CFl2)2Ph, R " = Bu Y= (CH2)2C6H4-OH-/>) using MacroModel V7.1 <2002JME1395>. 

Slomczynska, U., Chalmers, D.K., CORNILLE, F., Smythe, M.L., Beusen, D.D., Moeller, K.D., Marshall, G.R. Electrochemical cyclization of dipeptides to form novel bicyclic, reverse-turn peptidomimetics. 2. Synthesis and conformational analysis of 6,5-bicyclic systems./. Org. Chem. 1996, 63(4), 1198-1204. 

Peptides and peptidomimetics represent a class of compounds of its own for 3D structure generation and conformational analysis. Therefore, the programs developed for predicting spatial peptide models are rather restricted in their application to this specific group of molecules. In Sec. 6, approaches to the generation of low-energy conformations of peptide molecules will be briefly described. A detailed overview of... 

M. J. Genin and R. L. Johnson,/. Am. Chem. Soc., 114, 8778 (1992). Design, Synthesis and Conformational Analysis of a Novel Spiro-Bicyclic System as a Type II B-Turn Peptidomimetic. 

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