In-silico identification of small molecule benzofuran-1,2,3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore modeling and molecular docking studies
Sunil Kumar, Iqra Ali, Faheem Abbas, Nimra Khan, Manoj K. Gupta, Manoj Garg, Saroj Kumar, Deepak Kumar
Topics & Concepts
PharmacophoreADMEIn silicoDocking (animal)ChemistryEGFR inhibitorsEpidermal growth factor receptorBenzofuranProtein Data Bank (RCSB PDB)Small moleculePharmacologyMolecular dynamicsStereochemistryComputational biologyBiochemistryComputational chemistryBiologyReceptorMedicineIn vitroGeneNursingClick Chemistry and ApplicationsComputational Drug Discovery MethodsSynthesis and biological activity