Molecular similarity analysis: an alternative approach to studying molecular mechanisms of anaesthesia.
(1) The discovery of the non-anaesthetics has provided a unique opportunity for using novel modelling techniques to study the molecular mechanisms of anaesthesia. (2) We have selected the molecular similarity approach to investigate the importance of three-dimensional molecular fields, such as geometric shape and electrostatic potential, in (a) determining whether an agent exhibits anaesthetic activity and (b) in determining the in vivo potencies of active agents. (3) The results to date are both provocative and highly promising.
Sewell
J C
JC
Nuffield Department of Anaesthetics, The Radcliffe Infirmary, Oxford, UK.
Halsey
M J
MJ
D000758:Anesthesia; D000777:Anesthetics / Q000494:pharmacology*; D000818:Animals; D006801:Humans; D008954:Models, Biological
D000777:Anesthetics