Search results for " Mechanism of action"
showing 2 items of 2 documents
Combined use of PCA and QSAR/QSPR to predict the drugs mechanism of action. An application to the NCI ACAM Database
2009
During the years the National Cancer Institute (NCI) accumulated an enormous amount of information through the application of a complex protocol of drugs screening involving several tumor cell lines, grouped into panels according to the disease class. The Anti-cancer Agent Mechanism (ACAM) database is a set of 122 compounds with anti-cancer activity and a reasonably well known mechanism of action, for which are available drug screening data that measure their ability to inhibit growth of a panel of 60 human tumor lines, explicitly designed as a training set for neural network and multivariate analysis. The aim of this work is to adapt a methodology (previously developed for the analysis of …
Role of intracellular calcium on ethanol-induced activation of protein kinase A: molecular model and behavioral consequences
2014
Ethanol can be considered a weak drug when compared to most other drugs of abuse. The molecule of ethanol has no asymmetric carbon. Being so, it does not interact with the biological substrates in a stereoselective way as most of the receptor ligand drugs do. Moreover, ethanol has a very simple chemical structure. Thus, the hydroxyl group provides a dipole that allows the formation of hydrogen bonds. It is the formation of hydrogen bonds that makes ethanol soluble in water. In contrast, ethanol presents an aliphatic moiety that provides a lipophilic group that can interact with non-polar cellular elements. However, contrary to what it is generally believed, ethanol has low lipid solubility.…