Structure–activity relationship of s‐triazoles and thiadiazoles as analgesics
Agata Siwek, Monika Wujec, Tomasz Plech, Edyta Kuśmierz, E Jagiełło-Wójtowicz, A Chodkowska · Heteroatom Chemistry · 2010
Abstract The influence of s‐triazoles (6–9) and thiadiazoles (10–11) on the central nervous system of mice in some behavioral tests was investigated. It was found that compounds (10) and (11) are the possible candidates for further development as analgesic agents. The correlation between the molecular descriptors and analgesic potential has been studied by using the pattern recognition methods: principal component analysis (PCA) and hierarchical cluster analysis (HCA). Our results, however, showed that the relationship between molecular descriptors and analgesic activity of s‐triazoles and thiadiazoles cannot be easily explained on the basis of PCA and HCA. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:256–264, 2010; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20605