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Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils
Bajaj, S. and Madan, A. K. Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils Chemical Papers, Vol.61, No. 2, 2007, 127-132
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Document type:
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Článok z časopisu / Journal Article |
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Collection:
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Chemical papers
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| Author(s) |
Bajaj, S.
Madan, A. K.
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| Title |
Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils
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| Journal name |
Chemical Papers
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| Publication date |
2007
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| Year available |
2007
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| Volume number |
61
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| Issue number |
2
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| ISSN |
0366-6352
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| Start page |
127
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| End page |
132
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| Place of publication |
Poland
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| Publisher |
Versita
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| Collection year |
2007
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| Language |
english
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| Subject |
250000 Chemical Sciences
320000 Medical and Health Sciences
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| Abstract/Summary |
Relationship between topochemical indices and anti-HIV-1 (HTLV-III) inhibitory activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils has been studied. Superadjacency, an adjacency-cum-distance-based, topochemical index and Wiener’s, a distance-based, topochemical index were calculated for a set of 36 1-alkoxy-5-alkyl-6-(arylthio)uracils. Resulting data were analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each of the compounds using these models and compared with the reported anti-HIV-1 activity. High accuracy of prediction was observed using these models. Statistical analysis revealed significance of the proposed models as well as a lack of correlation between the topochemical indices employed for the chosen data set.
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