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. 2023 Dec 3;10(1):e23115. doi: 10.1016/j.heliyon.2023.e23115

Table 5.

The docking portion showing 2D and 3D representations, binding interactions, and hydrogen bond lengths of the designed compounds and PZQ in the active site of the 6YI7 receptor.

3.7.

3.7.

Key: (4bR,8aR)-1-isopropyl-3,4b,8,8-tetramethyl-10-(methylamino)-6-vinyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-4 - carbonyl chloride.u4: (4bR,8aR)-1-isopropyl-3,4b,8,8,10-pentamethyl-6-vinyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-4-carbonyl chloride.u7: (4bR,8aR)-6-ethyl-3,4b,8,8-tetramethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-4-carbonyl chlorideu8: (4bR,8aR)-3,4b,6,8,8-pentamethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-4-carbonyl chloride.7b1:(4bR,8aR)-6-chloro-4-(dimethylamino)-1-isopropyl-4b,8,8-trimethyl-10-(methylamino)-4b,5,6,7,8,8a,9, 10-octahydrophenanthren-2-ol, 15*: template compound.