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. 2022 Oct 31;12(48):31004–31015. doi: 10.1039/d2ra03703c

Results of molecular docking.

Compound ID Chemical name (common name) 2D conformer 3D conformer Binding affinity (kcal mol−1)
PubChem CID: 5280793 Ergocalciferol (vitamin D2) graphic file with name d2ra03703c-u1.jpg graphic file with name d2ra03703c-u2.jpg −9.2
PubChem CID: 5280795 Cholecalciferol (vitamin D3) graphic file with name d2ra03703c-u3.jpg graphic file with name d2ra03703c-u4.jpg −8.5
PubChem CID: 444679 Ergosterol (pre-vitamin D2) graphic file with name d2ra03703c-u5.jpg graphic file with name d2ra03703c-u6.jpg −8.3
PubChem CID: 5287554 Menaquinone (vitamin K2) graphic file with name d2ra03703c-u7.jpg graphic file with name d2ra03703c-u8.jpg −8.0
PubChem CID: 2764 Ciprofloxacin (control) graphic file with name d2ra03703c-u9.jpg graphic file with name d2ra03703c-u10.jpg −7.6