Pattern Recognition Applications in Chemistry and Pharmacology: A 'Pharmacophore Acetylcholinoreceptor' Subunit Environment Model

摘要

In the analysis of a compound's structure for the prediction of its resultant pharmacological activity, the ultimate goal of the researcher is the explanation of the physiological mechanisms and compound interactions involved from the moment the drug is administered until the time it completes its effect. Having this knowledge, the researcher can then design compounds producing the efficacious-ness desired. With this objective, investigators at the Research Division, Chemical Systems Laboratory, APG, MD have conducted chemical structure-biological activity relationship (SAR) studies (1) on various classes of compounds whose pharmacological actions 'in vivo' are directly related to the cholinergic system. The studies have included toxicity, cholinolytic and cholinomimetic activity, and the medicalprophylactic and/or therapeutic efficacy of compounds or mixtures of compounds against anticholinesterase poisoning. (Author)