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Title: Synthesis and QSAR studies of 16-(3-methoxy-4-substituted benzylidene) androstene derivatives as anticancer agents
Authors: Dubey, Sonal
Kaur, Parmeet
Jindal, Dharam Paul
Satyanarayan, Yalamanchili Darji
Piplani, Poonam
Keywords: Androstane;anticancer;in vitro activity;QSAR;steroids
Issue Date: Jul-2010
Publisher: CSIR
Abstract:  In a systematic effort aimed at identifying new steroidal cytotoxic agents with potent antipoliferative activity against cancer cells and developing their QSAR models, a series of 16-(3-methoxy-4-substituted benzylidene)androst-5-ene derivatives have been synthesized. The selected compounds are evaluated for antineoplastic activity against a panel of three human cell lines-breast, CNS and lungs at NCI, Bethesda, USA. The results presented herein indicate that compound 15-18, 21, 22, 25-30 are active anticancer agents. The QSAR investigation with multiple linear regression analysis has been applied to find a correlation between different calculated physicochemical parameters of these compounds and biological activity. Application of datasets by using CODESSA software has led to QSAR equations based on the 3 descriptors. The significant QSAR models have been obtained with R2 values which range from 0.9692-0.8225 and good predictive performance (q2 range: 0.9264-0.7121). These models are expected to be useful for the anticancer screening of androstene derivatives having substitution at position 3,16 and 17 of steroid nucleus.
Page(s): 948-955
Appears in Collections:IJC-B Vol.49B(07) [July 2010]

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