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Research Journals >
Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.49B [2010] >
IJC-B Vol.49B(07) [July 2010] >
| 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.
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| Page(s): | 948-955 |
| Source: | IJC-B Vol.49B(07) [July 2010]
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