Computational insights into the stereo-selectivity of catechins for the inhibition of the cancer therapeutic target EGFR kinase

Mohd Rehan; Firoz Ahmed; Mohammad Imran Khan; Hifzur Rahman Ansari; Shazi Shakil; Moustafa E. El-Araby; Salman Hosawi; Mohammad Saleem

doi:10.3389/fphar.2023.1231671

FIGURE 6

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The stereoisomers of catechin derivatives with their binding energy scores for wild-type (purple) and mutant L858R (green) EGFR. The binding energies of stereoisomers for the wild-type shown as purple bars are arranged in decreasing absolute values of binding energies. The gallated catechin derivatives clustered together and stood out with the non-gallated ones in having higher scores for the binding energies for both the wild-type and the mutant EGFR.