Use of Quantitative Structure–Activity Relationship (QSAR) and ADMET prediction studies as screening methods for design of benzyl urea derivatives for anti-cancer …

D Lokwani, S Bhandari, R Pujari, P Shastri…

文献索引：Lokwani, Deepak; Bhandari, Shashikant; Pujari, Radha; Shastri, Padma; Shelke, Ganesh; Pawar, Vidya Journal of Enzyme Inhibition and Medicinal Chemistry, 2011 , vol. 26, # 3 p. 319 - 331

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被引用次数: 5

摘要

2D and 3D quantitative structure–activity relationship studies have been carried out for establishing a correlation between the structural properties of benzyl urea derivatives and their anti-tumour activities. From this correlation, the new chemical entities were designed, and their activity and absorption, distribution, metabolism, excretion, and toxicity properties were also predicted. Finally, the most promising compounds from these screening were ...