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. 2023 Mar 14;28(6):2643. doi: 10.3390/molecules28062643

Table 2.

The hit compounds by virtual screening and its inhibitory activity against DHCR24.

Compound DrugBank ID Drug Name Binding Energy (Kcal/mol) Drug Types Drug-Likeness
graphic file with name molecules-28-02643-i001.jpg DB01029 Irbesartan −7.13 Approved, Investigational Yes; 1 violation: MLOGP > 4.15
graphic file with name molecules-28-02643-i002.jpg DB00872 Conivaptan −7.03 Approved, Investigational Yes; 0 violation
graphic file with name molecules-28-02643-i003.jpg DB01349 Tasosartan −6.65 Experimental Yes; 0 violation
graphic file with name molecules-28-02643-i004.jpg DB08358 −6 Experimental Yes; 0 violation
graphic file with name molecules-28-02643-i005.jpg DB04698 −5.91 Experimental Yes; 0 violation
graphic file with name molecules-28-02643-i006.jpg DB00734 Risperidone −5.79 Approved, investigational Yes; 0 violation
graphic file with name molecules-28-02643-i007.jpg DB03480 Brequinar Analog −5.57 Experimental Yes; 0 violation
graphic file with name molecules-28-02643-i008.jpg DB07241 −5.5 Experimental Yes; 0 violation
graphic file with name molecules-28-02643-i009.jpg DB01948 −5.19 Experimental Yes; 1 violation: MLOGP > 4.15
graphic file with name molecules-28-02643-i010.jpg DB06212 Tolvaptan −5.06 Approved Yes; 1 violation: MLOGP > 4.15