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KMID : 1059520130570010099
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Journal of the Korean Chemical Society
2013 Volume.57 No. 1 p.99 ~ p.103
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Pharmacophore Modelling, Quantitative Structure Activity Relationship (QSAR) and Docking Studies of Pyrimidine Analogs as Potential Calcium Channel Blockers
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Choudhari Prafulla B.
Bhatia Manish S.
Jadhav Swapnil D.
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Abstract
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The present communication deals with the Pharmacophore modeling, 3D QSAR and docking analysis on series of Pyrimidine derivatives as potential calcium channel blockers. The computational studies showed hydrogen bond donor, hydrogen bond acceptor, and hydrophobic group are important features for calcium channel blocking activity. These studies showed that Pyrimidine scaffold can be utilized for designing of novel calcium channels blockers for CVS disorders.
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KEYWORD
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Pyrimidine, Calcium channel blocker, QSAR
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