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. 2024 Mar 27;10(7):e28460. doi: 10.1016/j.heliyon.2024.e28460

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