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. 2022 Jun 15;23(12):6666. doi: 10.3390/ijms23126666

Table 1.

Affinity energy comparison of dispirooxindole (a) and the previously described [27] spirooxindole-β-lactam (b).

Compound Figure 2 Entry# Stereoisomer Affinity (kcal/mol)
graphic file with name ijms-23-06666-i001.jpg a1 (3R,3′S) −10.1
a2 (3S,3′R) −9.1
a3 (3R,3′R) −8.8
a4 (3S,3′S) −8.1
graphic file with name ijms-23-06666-i002.jpg b1 (2R,3S) −9.2
b2 (2S,3R) −9.4
b3 (2R,3R) −8.1
b4 (2S,3S) −7.3