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. 2022 Apr 24;27(9):2741. doi: 10.3390/molecules27092741

Figure 1.

Figure 1

Molecular docking by means of computer simulation also showed that α-linolenic acid acted on the β-ketoacyl synthase domain of FASN. (A) Chemical structure of α-linolenic acid. (B) Five binding models of α-linolenic acid with KS. ① Vina score of −6.1, ② Vina score of −5.9, ③ Vina score of −5.7, ④ Vina score of −5.3, ⑤ Vina score of −4.9. (C) KS domain and the catalytic center are shown in the yellow area. (D) α-Linolenic acid binding the hydrophobic pocket on the KS domain. (E) Details of KS binding with α-linolenic acid.