ntEGFR is a open source web server developed for predicting inhibitory activity (IC50) of molecules against wild and mutant EGFR. We have developed three type of prediction models called EGFRwild, EGFRmutant and EGFRhybrid. In case of EGFRwild, model was developed/trained on 128 Quinazoline derivative whoes inhibition activity tested against wild EGFR. Thus EGFRwild model will allow users to predict and design Quinazoline-based EGFR inhibitors (against wild EGFR).

Similarly, model EGFRmutant was developed on 56 imidazothiazoles/pyrazolopyrimidines derivatives whoes inhibition activity tested against mutant EGFR. This EGFRmutant model will be useful in predicting and designing imidazothiazoles/pyrazolopyrimidines based EGFR inhibitors (against mutant EGFR). The third model EGFRhybrid was trained on 184 molecules (128 Quinazoline derivative + 56 imidazothiazoles/pyrazolopyrimidines derivatives) to find the inhibitors against wild or mutant EGFR.

Reference: Chauhan et al. (2014) QSAR-Based Models for Designing ... PLoS ONE 9(7): e101079
Standalone version at: http://osddlinux.osdd.net Galaxy version at: http://osddlinux.osdd.net:8001