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Qualitative Structure-Activity Relationships and 2D-QSAR Modeling of TNF-α Inhibition by Thalidomide Derivatives

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Thalidomide is a tumor necrosis factor alpha (TNF-α) inhibitor which has been found to have abilities against tumor growth, inflammation. QSAR studies have been performed on twenty-three molecules of thalidomide derivatives. QSAR models have been evaluated for Thalidomide derivatives activities against four types of inflammatory cytokine TNF-α. In this work, we used multiple linear regression (MLR) procedure to derive 2D-QSAR models that show a strong correlation between TNF-α inhibition and various physicochemical descriptors.

Keywords: CYTOKINE TNF-α; MLR; QSAR; SAR; THALIDOMIDE

Document Type: Research Article

Publication date: 01 October 2015

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  • Bionanoscience attempts to harness various functions of biological macromolecules and integrate them with engineering for technological applications. It is based on a bottom-up approach and encompasses structural biology, biomacromolecular engineering, material science, and engineering, extending the horizon of material science. The journal aims at publication of (i) Letters (ii) Reviews (3) Concepts (4) Rapid communications (5) Research papers (6) Book reviews (7) Conference announcements in the interface between chemistry, physics, biology, material science, and technology. The use of biological macromolecules as sensors, biomaterials, information storage devices, biomolecular arrays, molecular machines is significantly increasing. The traditional disciplines of chemistry, physics, and biology are overlapping and coalescing with nanoscale science and technology. Currently research in this area is scattered in different journals and this journal seeks to bring them under a single umbrella to ensure highest quality peer-reviewed research for rapid dissemination in areas that are in the forefront of science and technology which is witnessing phenomenal and accelerated growth.
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