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Table 3 The planned molecular docking factors

From: Inhibition of malate dehydrogenase via nanoselenium coupling with nanocellulose composite in MCF-7 breast carcinoma cells

Factor

BE

Ki

MDS

RS

HB

Inhibitor cellulose

−67.886

114.579

6125.8

123.27

−18.790

Inhibitor Dox

−75.767

127.88

8316.94

577.39

−8.665

Inhibitor cellulose and selenium as cofactor

−81.160

136.98

5124.544

132.101

−10.227

  1. BE binding interaction, Ki inhibition constant, MDS molecular docking score, RS Rerank score, HB hydrogen bond interaction energy