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Table 2 Number of interacting residues, number and percentage of residues common with dihydrotestosterone (DHT), Dock score, Glide score and binding affinity values (MMGB-SA values) of di(2-ethylhexyl)terephthalate (DEHT), tris(2-ethylhexyl)trimellitate (TOTM), diisononyl hexahydrophthalate (DINCH), and natural ligand, DHT, after Induced Fit Docking with human sex hormone-binding globulin (SHBG)

From: Human sex hormone-binding globulin as a potential target of alternate plasticizers: an in silico study

S. No. Ligand Number of interacting residues Number of interacting residues common with DHT (%) Docking score (Kcal/mol) Glide score (Kcal/mol) MMGB-SA (Kcal/mol)
1 DEHT 25 18 (82 %) −8.65 −8.65 −130.83
2 TOTM 30 18 (82 %) −9.24 −9.24 −146.21
3 DINCH 30 20 (91 %) −10.16 −10.16 −166.83
4 DHT 22 22 (100 %) −12.02 −12.02 −129.89