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Author

Kashif Hussain

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2 papers indexed here

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Oct 2026

Pharmacophore modelling-based screening of natural allosteric EGFR inhibitors using molecular docking, DFT, and molecular dynamics simulations.

The development of allosteric inhibitors is a promising strategy for targeting epidermal growth factor receptor (EGFR) mutations in non-small cell lung cancer (NSCLC), especially in cases where orthosteric inhibitors face resistance. However, despite their selective inhibition of EGFR mutations, fourth-generation allos...

Fatima Munir, M. Amir, Kashif Hussain et al. · 0 citations
Open access Oct 2026

Daidzein derivatives as potential inhibitors of mutant EGFR in non-small cell lung cancer: A computational study supported by molecular docking, DFT, molecular dynamics simulations, and MM/PBSA techniques.

BACKGROUND Lung cancer (LC) continues to be the foremost cause of cancer-related deaths worldwide. However, resistance to epidermal growth factor receptor(EGFR) tyrosine kinase inhibitors in non-small cell lung cancer (NSCLC) poses serious challenges to current treatments, and there is a need to identify small molecule...

Fatima Munir, Kashif Hussain, Guo-Wei Zhao et al. · 0 citations

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