A quantitative structure activity relationship study of tumor inhibitory triazenes using bonding information content and lipophilicity

S. K. Ray, S. C. Basak, C. Raychaudhury

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The in vivo tumor inhibitor potencies pID50 (negative logarithm of the minimum dose to give 50% increase in life span) of 4-[3,3-substituted triazeno]benzoic acids are rationalized in terms of a newly developed information-theoretic topological index, second order bonding information content (2BIC) of the weighted graph representing the bioactive molecules and lipophilicity (log P) by the following multiparametric regression equation pID50 = 1.8537 + 0.0827 (logP) + 4.4812 (2BIC). The results show that the steric factor associated with the skeletal molecule plays a very important role along with lipophilicity in the antitumor activity of the compounds tested and the equation may be exploited to search for the prospective antitumor analogue.

Original languageEnglish (US)
Pages (from-to)933-934
Number of pages2
JournalIRCS Medical Science
Volume10
Issue number11
StatePublished - Jan 1 1982

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Triazenes
Quantitative Structure-Activity Relationship
Benzoates
Tumors
Molecules
Neoplasms

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A quantitative structure activity relationship study of tumor inhibitory triazenes using bonding information content and lipophilicity. / Ray, S. K.; Basak, S. C.; Raychaudhury, C.

In: IRCS Medical Science, Vol. 10, No. 11, 01.01.1982, p. 933-934.

Research output: Contribution to journalArticle

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