Table 6 Reverse pharmacophore mapping for the top compounds to identify potential targets
Compounds | Proteins | Gene Symbol | Probability of binding ≥ 0.15 |
|---|---|---|---|
Withasomidienone | NA | -- | -- |
2,4-methylene-cholesterol | Niemann-Pick C1-like protein 1 | NPC1L1 | 0.83263977 |
LXR-alpha | NR1H3 | 0.797514816 | |
Nuclear receptor ROR-gamma | RORC | 0.780021035 | |
Androgen Receptor | AR | 0.771254955 | |
Cytochrome P450 17A1 | CYP17A1 | 0.586987094 | |
HMG-CoA reductase | HMGCR | 0.516792571 | |
Cytochrome P450 51 (by homology) | CYP51A1 | 0.516792571 | |
Sterol regulatory element-binding protein 2 | SREBF2 | 0.472947954 | |
Nuclear receptor ROR-alpha | RORA | 0.253545671 | |
2,3-Didehydrosomnifericin | NA | -- | -- |