DocumentCode
2356775
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
fYear
1995
fDate
15-18 Feb 1995
Firstpage
26024
Lastpage
26390
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;
fLanguage
English
Publisher
ieee
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
Type
conf
DOI
10.1109/RCEMBS.1995.533034
Filename
533034
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