Bastikar Virupaksha

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In this study an attempt was made to understand the structural requirements for Topoisomerase I (Topo I) inhibition using a novel Group based QSAR (GQSAR) or fragment based QSAR technique. Here we combined the GQSAR technology with conventional 2D and 3D QSAR to derive GQSAR models for various reported naphthoquinone derivatives. Various regression models(More)
Quantitative Structure-Activity Relationship (QSAR) paradigm has proved to be useful in understanding the requirements of physicochemical properties of the molecular substituents in many key locations as well as molecules as a whole. The knowledge of Structure-Activity Relationship (SAR), together with the generation of QSAR, constitutes a large body of(More)
The Topoisomerase I enzyme has become an attractive target for the treatment of cancer. In this paper molecular dynamics, 2D and 3D QSAR and molecular docking studies were performed on 90 naphthoquinone derivatives as Topoisomerase I inhibitors by using the human Topo I-DNA cleavable complex. This model has the drug intercalated with its planar(More)
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