Identification of a pharmacophore on H/sub 1/ histamine receptor antagonists: a molecular modeling study

摘要

A systematic conformational search was performed on a set of H/sub 1/ histamine receptor antagonists in an effort to define a pharmacophore. This study suggests that the H/sub 1/ receptor may bind antihistamines with two acidic moieties located between 4.97A and 6.15A from one another. Disulfide bond formation is also possible for this class of antihistamines. This, however, would not explain reversible binding unless a thioesterase is involved.