QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents.
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.
Debnath
Bikash
B
Department of Pharmaceutical Technology, PO Box No. 17020, Jadavpur University, Kolkata -700 032, India.
Gayen
Shovanlal
S
Bhattacharya
Subrata
S
Samanta
Soma
S
Jha
Tarun
T
D000166:Acridines / Q000737:chemistry / Q000494:pharmacology*; D000470:Alkaloids / Q000737:chemistry / Q000494:pharmacology*; D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology*; D002455:Cell Division / Q000187:drug effects; D045744:Cell Line, Tumor; D004563:Electrochemistry; D006801:Humans; D020128:Inhibitory Concentration 50; D010618:Phenanthrolines / Q000737:chemistry / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D011804:Quinolines / Q000737:chemistry / Q000494:pharmacology*
D000166:Acridines; D000470:Alkaloids; D000970:Antineoplastic Agents; D010618:Phenanthrolines; D011804:Quinolines; C412046:ascididemin