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Pure Appl. Chem., 2004, Vol. 76, No. 5, pp. 959-964

Spacer conformation in biologically active molecules

J. Karolak-Wojciechowska and A. Fruzinski

Institute of General and Ecological Chemistry, Technical University, Lódz , Poland

Abstract: Based on our contemporary studies on the structures of biologically active molecules, we focus our attention on the aliphatic chain and its conformation. That flexible spacer definitely influenced the balanced position of all pharmacophoric points in molecules of biological ligands. The one atomic linker and two or three atomic spacers with one heteroatom X =O, S, CH2, NH have been taken into account. The conformational preferences clearly depend on the heteroatom X. In the discussion, we utilize our own X-ray data, computation chemistry methods, population analysis, and statistical data from the Cambridge Structural Database (CSD).