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    • 02) Bitlis Eren University Journal of Science and Technology
    • Cilt 03, Sayı 1 (2013)
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    •   DSpace Home
    • 2-DERGİLER
    • 02) Bitlis Eren University Journal of Science and Technology
    • Cilt 03, Sayı 1 (2013)
    • View Item
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    Quantitative structure activity relationships of cytotoxicity effect on various cancer cells of some imidazo[1,2-]pyrazine derivatives

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    Date
    2013
    Author
    Gülseven Sıdır, Yadigar
    Sıdır, İsa
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    Abstract
    We have investigated the quantitative structure activity relationships (QSARs) between quantum chemical parameters and logIC50-1 being as values of cytotoxicity effect on various cancer cells of seventeen imidazo[1,2-]pyrazine derivatives. All of the quantum chemical parameters except for hydrophobic parameter and molar refractivity was calculated by using DFT/B3LYP method and 6-31G (d,p) basis set. The complex, strong, descriptive and interpretable models for QSAR is derived using multiple linear regression analysis as a statistical method. QSAR models show that molecular volume, ionization potential, molecular softness, dipole moment, molar refractivity and hydrophobic parameter are important parameters that can affect the inhibitor activities on cancer cells division of investigated molecules. QSAR models found the regression coefficients for MDAMB-231, MCF-7, Hep G2 and SK-N-SH cells as 1.000, 0.984, 0.926 and 0.997, respectively.
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    http://dspace.beu.edu.tr:8080/xmlui/handle/123456789/13763
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    • Cilt 03, Sayı 1 (2013) [7]





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