| Literature DB >> 15465330 |
R Parthasarathi1, V Subramanian, D R Roy, P K Chattaraj.
Abstract
The purpose of this study is to probe the suitability of DFT based chemical reactivity parameter, electrophilicity index as a possible biological activity descriptor in the development of QSAR. Testosterone derivatives with activity described in terms of various biological activity parameters and the estrogen derivatives by relative binding affinity (RBA) values have been selected as model systems. The implications for the ability of electrophilicity to describe the biological activities are discussed. From the results it is possible to observe that electrophilicity index may be suitable to effectively describe the biological activity.Entities:
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Year: 2004 PMID： 15465330 DOI： 10.1016/j.bmc.2004.08.013
Source DB: PubMed Journal: Bioorg Med Chem ISSN： 0968-0896 Impact factor: 3.641