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Arylguanidine and arylbiguanide binding at 5-HT3 serotonin receptors: a QSAR study
Richard A Glennon1, Maha Khalifa Daoud, Małgorzata Dukat
1Department of Medicinal Chemistry, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA. glennon@hsc.vcu.edu
Bioorganic & Medicinal Chemistry
|September 18, 2003
Abstract:
For a series of monosubstituted arylguanidines, 5-HT3 receptor affinity was found generally related to the electron withdrawing nature of the substituent at the aryl 3-position and the lipophilicity of the 4-position substituent. A broader examination of 35 arylguanidines and arylbiguanides revealed that affinity could be described by molecular polarizability, a Chi index term (8chiP), and the sum of all (-Cl) E-State values (SsCl) in the molecule.