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

✍ Scribed by S. Bajaj; A. K. Madan

• Book ID: 111491035
• Publisher: Versita
• Year: 2007
• Tongue: English
• Weight: 245 KB
• Volume: 61
• Category: Article
• ISSN: 0366-6352
• DOI: 10.2478/s11696-007-0009-4

✦ Synopsis

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.