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. 2019 Dec 9;176(23):4548–4557. doi: 10.1111/bph.14818

Table 2.

The binding free energy (kcal·mol−1) of WT–pterostilbene, Trp93Ala–pterostilbene, and Asp124Ala–pterostilbene systems based on computational method and the values of the binding constants (K A) based on the fluorescence spectroscopy quenching

WT–NDM‐1 Trp93Ala Asp124Ala
The binding free energy (kcal·mol−1) −8.58 ± 2.08 −6.92 ± 1.19 −7.12 ± 1.61
K A (1 × 104) L·mol−1 5.16 ± 1.67 4.76 ± 1.14 3.52 ± 1.26

Abbreviations: NDM‐1, New Delhi metallo‐β‐lactamase‐1; WT, wild type.

Note. All data are mean ± SD, n = 5.