Table 7.
Binding affinities of compounds from methanol fractions of leaves extract of Cassia fistula against various receptors.
| Binding affinities of compounds from methanol fractions of leaves extract of Cassia fistula against various receptors. | ||||||||
|---|---|---|---|---|---|---|---|---|
| Methanol | Compound number | Compound Name | Pubchem CID | Binding Affinities |
||||
| EGFR (1XKK) | DHFR (4M6J) | GLUT 3 (4ZWB) | KOR (6VI4) | COX 2 (1CX2) | ||||
| MEOH | 1 | 3,3-Dimethoxy-2-butanone | 140,871 | −4.7 | −4 | −4.8 | −3.9 | −4.5 |
| MEOH | 2 | 1,3-Dioxolane-4-methanol, 2-ethyl- | 546,241 | −5.1 | −4.6 | −5.1 | −4.4 | −5.1 |
| MEOH | 3 | Neophytadiene | 10,446 | −6.8 | −5.4 | −6.7 | −6.8 | −7.3 |
| MEOH | 4 | 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- | 5,319,706 | −6.8 | −5.7 | −6.6 | −6.8 | −7.6 |
| MEOH | 5 | Phytol | 5,280,435 | −6.8 | −5.8 | −7.1 | −6.8 | −7.2 |
| MEOH | 6 | Eicosane | 8222 | −5.9 | −4.9 | −5.9 | −6.2 | −6.6 |
| MEOH | 7 | 9-Octadecenamide, (Z)- | 5,283,387 | −6.4 | −5.3 | −6.6 | −6.4 | −7.3 |
| MEOH | 8 | Oxane-4-carboxamide, 2-propyl- | 559,220 | −6.1 | −5.2 | −6.2 | −5.8 | −5.9 |
| MEOH | 9 | Vitamin E | 14,985 | −7.8 | −6.7 | −9.2 | −8.7 | −7.6 |
| MEOH | 10 | beta.-Sitosterol | 222,284 | −9.4 | −8.5 | −9.5 | −9.7 | −3 |
| MEOH | 11 | Globulol | 12,304,985 | −7.3 | −6.9 | −7.9 | −7.6 | −6.8 |
| STD | 12 | Cirprofloxacin | 2764 | −8.2 | ||||
| 13 | Lapatinib | 208,908 | −10.6 | |||||
| 14 | Glibenclamide | 3488 | −10.2 | |||||
| 15 | Loperamide | 3955 | −9.1 | |||||
| 16 | Diclofenac | 3033 | −7.8 | |||||