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 2

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(A–D) The two-dimensional structures of the four major natural catechins. The chiral centers are shown as carbon 2 and carbon 3. Based on the orientation of the bonds joining other chemical groups to these chiral carbons, every catechin derivative has two trans isomers and two cis (epi) isomers, making a total of four stereoisomers.