Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations.
Ferreira AM, Krishnamurthy M, Moore BM 2nd, Finkelstein D, Bashford D.
Ferreira AM, et al. Among authors: krishnamurthy m.
Bioorg Med Chem. 2009 Mar 15;17(6):2598-606. doi: 10.1016/j.bmc.2008.11.059. Epub 2008 Dec 3.
Bioorg Med Chem. 2009.
PMID: 19250829
We present a QSAR model for ligand-receptor interactions based on quantum-chemical descriptors (an eQSAR) obtained from PM3 semi-empirical calculations for a series of phenyl-substituted cannabinoids based on a ligand with known in vivo activity against glioma [Duntsch, C.; Divi, …
We present a QSAR model for ligand-receptor interactions based on quantum-chemical descriptors (an eQSAR) obtained from PM3 semi-empirical c …