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A field based 3D QSAR model of novel anti-microtubule agent noscapine and its derivatives

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Academic year: 2017

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Figure I:  Chemical structure of noscapine, which consists of an  isoquinoline  ring  (top  section)  and  a   dimethoxyisobenzo-furanone ring (lower section)
Table I: Chemical structures of noscapine and its congeners used in the  present study, along with their observed inhibitory activity of cell  prolif-eration (CEM cell line)
Figure II: Schematic representations of (a) different molecular  field  points  of  the  template  molecule(amino  noscapine)  Blue:
Figure  IV: Relationship between  experimental  and  predicted  activities(IC 50 )  of  (a)  training  set  and  (b)  test  set  compounds  based  on  3D  quantitative  structure–activity  relationship
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