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Antiviral Activity of Benzimidazoles against Flu Virus

Several studies using molecular connectivity have been performed on antiviral data. Tamm et al. developed data for the antiviral activity of alkyl-substituted benzimidazoles against the Lee strain of the flu virus. Hall and Kier have analyzed that data using chi indexes.It is found that the activity depends heavily on arrangement of substituents but not on the atom count. This analysis is revealed in the following QSAR. [Pg.388]

It was also shown that the ip index could be used as a significant second variable in the QSAR equation. Hansch-type analysis yielded r = 0.90.  [Pg.389]

Hall and Kier reexamined this BCF data set using the response surface optimization technique as reported for a neurotoxicity data set.In this approach the nonlinear parabolic form is extended to a general two-variable parabolic form. The analysis can be performed using ordinary multiple linear regression programs or an extended form of the analysis can be performed using SAS. For the 20 compounds investigated by Sabljic, Hall and Stewart used the sum and difference of the zero order chi indexes, x id defined as follows  [Pg.389]

As indicated earlier in the discussion of A x for the ionization potential study, the difference chi indexes encode the nonsigma electron information. The sum [Pg.389]

This parabolic surface has a log(BCF), , , at the value of 4.86 for the index values, 5,= 24.568 and A°Xm,ix = 0.650, which correspond to values for the zero order chi indexes Xmax = 12.609 and X m.,x = 11.959. This maximum point is near the values for the tetrachlorobiphenyls. In addition to the phenyl and biphenyl compounds in the data set, the compounds DDT, heptachlor, and diel-drin also fit this model well. [Pg.390]


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