Allosteric interactions and QSAR: on the role of ligand hydrophobicity.
A study of a very large database of QSAR (9100) has uncovered a few unusual examples where as one increases the hydrophobicity of the members of a set of congeners, activity decreases until at a certain point, activity begins to increase. Obviously a change in mechanism is involved. The only way we have found to rationalize this unusual event is by a change in the structure of the receptor. We have found this to occur with hemoglobin, a substance first used to define allosteric reactions.
Hansch
Corwin
C
Department of Chemistry, Pomona College, 645North College Avenue, Claremont, CA 91711, USA. atessier@pomona.edu
Garg
Rajni
R
Kurup
Alka
A
Mekapati
Suresh Babu
SB
D000818:Animals; D002417:Cattle; D045744:Cell Line, Tumor / Q000378:metabolism; D003530:Cyprinidae; D006168:Guinea Pigs; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D008024:Ligands; D021281:Quantitative Structure-Activity Relationship; D051381:Rats; D017208:Rats, Wistar; D013237:Stereoisomerism
D008024:Ligands