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Molecular Pharmacology, Vol 13, 31-37, Copyright © 1977 by the American Society for Pharmacology and Experimental Therapeutics

Molecular Connectivity and Structure-Activity Relationship of General Anesthetics

THÉRÈSE DI PAOLO 1, LEMONT B. KIER 1, and LOWELL H. HALL 2

1 Massachusetts College of Pharmacy, Boston, Massachusetts 02115
2 Eastern Nazarene College, Quincy, Massachusetts 02169

Molecular connectivity indices were calculated for 28 inhalation anesthetics. An excellent correlation is obtained between the relative anesthetic potency and the molecular connectivity index 0khgr[unknown] in addition to the charge QH on the polar hydrogens. This quantitative structure-activity relationship accounts for and quantifies previous observations on general anesthetics. Our structure-activity relationship is discussed briefly in relation to theories of general anesthesia.

Submitted on June 1, 1976
Accepted on August 19, 1976






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