QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents.

Abstract

Pyridoacridine ascididemin analogues have been reported as anticancer agents for their interesting antitumor activity against human cancer cells. A quantitative structure-activity relationship (QSAR) analysis of ascididemin analogues was attempted using the physicochemical parameters and the electrotopological state atom (ETSA) indices. This study indicates that the electron withdrawing substituents with higher MR (molar refractivity) value at R(1) position favor the anti-tumor activity and the presence of NHR (R is hydrogen or alkyl group) at the R(3) position has contribution to the anti-tumor activity. ETSA indices have been incorporated as independent variable in the QSAR model with physicochemical parameters. It clearly suggests the importance of atoms 2, 3, 4, 5, 6 and 7 to the anti-tumor activity.

• Authors: Bikash Debnath, Shovanlal Gayen, Subrata Bhattacharya, Soma Samanta, Tarun Jha
• Journal: Bioorganic & medicinal chemistry (Bioorg Med Chem) Vol. 11 Issue 24 Pg. 5493-9 (Dec 01 2003) ISSN: 0968-0896 [Print] England
• PMID: 14642593 (Publication Type: Journal Article, Research Support, Non-U.S. Gov't)

Chemical References

• Acridines
• Alkaloids
• Antineoplastic Agents
• Phenanthrolines
• Quinolines
• ascididemin

Topics

• Acridines (chemistry, pharmacology)
• Alkaloids (chemistry, pharmacology)
• Antineoplastic Agents (chemistry, pharmacology)
• Cell Division (drug effects)
• Cell Line, Tumor
• Electrochemistry
• Humans
• Inhibitory Concentration 50
• Phenanthrolines (chemistry, pharmacology)
• Quantitative Structure-Activity Relationship
• Quinolines (chemistry, pharmacology)