Inclusion behavior and crystal structures of inclusion compounds of bi
le acids and their derivatives are described. Molecular recognition pr
operties of the steroidal hosts are dependent on molecular structure.
Especially, cholic acid, deoxycholic acid and their amides are found t
o be versatile hosts to include a wide variety of organic compounds. H
owever, Some derivatives of cholic acid provide only guest-free crysta
ls, and they can not form inclusion crystals with common organic solve
nts at all. X-ray crystallographic studies reveal that the crystal str
uctures consist of stacked bilayers except that of lithocholic acid. F
acially amphiphilic molecular structure of the bile acids gives the mu
ltibilayer structure in crystalline state. Side chain of the steroidal
skeleton controls the structural variety of multibilayer structure. O
n the basis of molecular recognition and dynamic properties of inclusi
on crystals of the steroidal bile acid, we can say that bile acids hav
e similar structure and function to proteins through molecular assembl
y.