Synthesis, Evaluation and QSAR Studies of 16-(4 amp; 3,4-Substituted) Benzylidene Androstene Derivatives as Anticancer Agents
Publisher：
Bentham Science Publishers
E-ISSN：
1875-6638|4|3|229-236
ISSN：
1573-4064
Source：
Medicinal Chemistry,
Vol.4,
Iss.3, 2008-05,
pp. : 229-236
Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.
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Abstract
In a systematic effort aimed at identifying new steroidal cytotoxic agents with potent antipoliferative activity against cancer cells and developing their QSAR models, series of 4-nitro, 4-isopropyl, 4-methoxy and 3,4-dimethoxy substituted benzylidene androst-5-ene derivatives were synthesized. The selected compounds were evaluated for antineoplastic activity against a panel of three human cell lines-breast, CNS and lungs at NCI, Bethesda, USA. The results presented herein reports that compounds 7, 9, 10, 15,16, 18, 20-25, 30, 32-36 and 44 have been found to be active anticancer agents. The QSAR of 20 compounds was performed separately for each cell line and best-fit QSAR models are developed. The QSAR models obtained have shown significant correlations (r2 range: 0.9163 to 0.8164) and good predictive performance (q2 range: 0.8499- 0.6320). The validation of models has also been performed using the test set of compounds 5, 15 and 44.
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