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Figure 6 | BMC Cancer

Figure 6

From: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase

Figure 6

Computer modelling of NAMPT. A Binding of inhibitors in wild type NAMPT. a Binding of APO866 from x-ray structure and computer modelling (XP glidescore -8.92) in the NAMPT active site superimposed. b The best docking of TP201565 in NAMPT with structural water present in the active site XP (glidescores -8.29). c Alternative docking of TP201565 in the active site of NAMPT with switched positions of the phenyl and cyclo-hexane groups (XP glidescore -7.53). d Docking of CHS-828 in NAMPT without structural water present (XP glidescore -7.23). B Modelling of H191R. a The Arg191 of NAMPTH191R protrudes into the active site of NAMPT. b APO866 docking in the active site of NAMPTH191R.

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BMC Cancer

ISSN: 1471-2407

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