Title :
Identification of a pharmacophore on H1 histamine receptor antagonists: a molecular modeling study
Author :
Wokhlu, N. ; Yadav, J. ; Ritter, A. ; Kristol, D. ; Laxminarayan, Srinivas
Author_Institution :
Dept. of Biomed. Eng., New Jersey Inst. of Technol., Newark, NJ, USA
Abstract :
A systematic conformational search was performed on a set of H1 histamine receptor antagonists in an effort to define a pharmacophore. This study suggests that the H1 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
Keywords :
biology computing; bonds (chemical); chemistry computing; molecular biophysics; molecular configurations; organic compounds; H1 histamine receptor antagonists; acidic moieties; antihistamines; conformational search; disulfide bond formation; identification; mequitazine; methdilazine; molecular modeling; molecular recognition; pharmacophore; promethazine; protocol; reversible binding; thioesterase; trimeprazine; Biomedical computing; Biomedical engineering; Bonding; Chemical technology; Dentistry; Hardware; Nitrogen; Physiology; Protocols; Visualization;
Conference_Titel :
Engineering in Medicine and Biology Society, 1995 and 14th Conference of the Biomedical Engineering Society of India. An International Meeting, Proceedings of the First Regional Conference., IEEE
Conference_Location :
New Delhi
Print_ISBN :
0-7803-2711-X
DOI :
10.1109/RCEMBS.1995.533034
