Classical QSAR Modelling of Indole-3-Acetic acids for Cancer Therapy
نویسنده
چکیده
A set of 26 compound of the series halogenated Indole-3-Acetic acids as oxidatively activate prodrugs with potential for targeted cancer therapy were subjected to quantitative structure activity relationship (QSAR) analysis using combination of various electronic, thermodynamic and spatial descriptors. Several statistical regression equations were obtained using multiple regression analysis. QSAR analysis showed that the cytotoxin produced from oxidation of IAA with horseradish peroxidase (HRP) have significant correlation with electronic (Energy of Highest molecular orbital), and thermodynamic (Non-1, 4-VDW energy, Henry law constant) properties of the molecule. QSAR analysis suggests that substitution with electron withdrawing and bulkier group is more favorable for inhibitory activity.
منابع مشابه
A convenient synthesis of 3-methyleneoxindoles: cytotoxic metabolites of indole-3-acetic acids
3-Methyleneoxindole is a cytotoxic metabolite of indole-3-acetic acid with potential for use in cancer therapy. This species and ring-substituted analogues are conveniently synthesised from the corresponding isatins via a Peterson olefination.
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