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Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils

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Abstract

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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Authors and Affiliations

  1. SV College of Pharmacy, Ram Nagar (Banur), 140 601, India

    S. Bajaj

  2. Faculty of Pharmaceutical Sciences, MD University, Rohtak, 124 001, India

    A. K. Madan

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  1. S. Bajaj
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  2. A. K. Madan
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Correspondence to A. K. Madan.

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Bajaj, S., Madan, A.K. Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils. Chem. Pap. 61, 127–132 (2007). https://doi.org/10.2478/s11696-007-0009-4

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  • DOI: https://doi.org/10.2478/s11696-007-0009-4

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