In silico screening of synthetic and natural compounds to inhibit the binding capacity of heavy metal compounds against egfr protein of lung cancer

HIGHLIGHTS

SUMMARY

    Natural, geogenic, lithogenic, and anthropogenic activities are major contributors to environmental contamination. Global Cancer Incidence, Mortality, and Prevalence (GLOBOCON, 2012) placed lung cancer as Pakistan`s third most common cancer, while Pakistan Health Research Council (PHRC, 2016), data revealed that lung cancer in Pakistan is the 10th most common cancer. Open Sequence Editor module was used to delete the nondesired chains and residues, followed by the addition of hydrogen_bonds, while the energy of the protein molecule was minimized using the energy minimization algorithm. ZINC database (https://zinc.docking.org/) supports virtual screening, ligand discovery . . .

     

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