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. 2021 Oct 12;6(42):28182–28193. doi: 10.1021/acsomega.1c04252

Table 2. Docking Score and MM-GBSA Values of Compounds CC1 and CC2 toward MAOs.

  MAO-A
 MAO-B
compound docking score (kcal/mol) MM-GBSA (kcal/mol) docking score (kcal/mol) MM-GBSA (kcal/mol)
CC1 –8.70 –32.11 –10.47 –49.54
CC2 –8.55 –24.60 –10.47 –50.52