Structural Effects on the Stability of Some Hydrogen‐Bonded Complexes with Nucleobases

@inproceedings{Yu1999StructuralEO,
  title={Structural Effects on the Stability of Some Hydrogen‐Bonded Complexes with Nucleobases},
  author={Lianhe Yu and Hans-J{\"o}rg Schneider},
  year={1999}
}
The effect that additional groups flanking the hydrogen bond donor/acceptor arrays have on the association constants (Ka) of complexes of chloroform-soluble thymine and adenine derivatives has been investigated by NMR shift titration. Constants for thymine and 2,6-diaminoacyl pyridine derivatives, in which the acyl group bears either (CH2)nR or some other substituent, vary greatly. The peak value of Ka = 1130 M–1 occurs for n = 2 and R = phenyl. Computer modeling with CHARMm suggests that this… CONTINUE READING