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Quantitative Structure Activity Relationship Study for Development of Plasmin Inhibitors Controlled by the Spacer Hydantoin

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The aim of these work present in this paper consisted in the development and evaluation of the quantitative structure activity relationships (QSAR) for the prediction of the Plasmin inhibition by Hydantoin derivatives, whereas Plasmin is a proteolytic enzyme that is formed from plasminogen in blood plasma and dissolves the fibrin in blood clots. The compounds used are potent inhibitors of the Plasmin which could, explain its role in inhibiting tumor growth. Various physicochemical descriptors were used in multiple linear regressions method (MLR) to develop the theoretical models, than using a cross-validation with leave-one-out method to optimize the model as well as possible to fit with the biological data.

Document Type: Research Article

Publication date: 01 October 2015

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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