3d-qsar and docking studies on pyrimidine derivatives of second-generation alk inhibitors

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  • who: D-QSAR et al. from the Germany GermanyPharmaceuticals, Zhejiang University of Technology, Hangzhou have published the Article: 3D-QSAR and Docking Studies on Pyrimidine Derivatives of Second-Generation ALK Inhibitors, in the Journal: (JOURNAL)
  • what: The CoMSIA contour map of hydrophobic contribution is described in Fig 7C. As noted, this model demonstrates that R1 and R3 played a key role in increasing molecular activity, where the R1 position may be better with small, negatively charged, hydrophobic, and hydrogen_bond donor groups, and the R3 position may be better with small, positively charged, and hydrogen_bond donor . . .

     

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