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. 2020 Feb 4;10(9):5371–5384. doi: 10.1039/c9ra05895h

The docking scores of 28 active ingredients and GLUT1, eNOS, Akt, in BE.

Target gene PDB ID Compound Docking score Compound Docking score
GLUT 1 4JA4 Quercetin-3-O-α-arabinopyranoside 6.321 Isorhamnetin 3.549
eNOS 3EAH 5.431 4.219
AKT 3QKK 5.763 3.489
GLUT 1 4JA4 Quercetin-3-O-galactoside 5.212 Naringenin 5.342
eNOS 3EAH 4.211 5.216
AKT 3QKK 3.872 3.496
GLUT 1 4JA4 Rutin 7.651 Cirsilion 3.459
eNOS 3EAH 5.057 4.457
AKT 3QKK 5.941 4.398
GLUT 1 4JA4 Quercetin 5.972 Luteolin 3.459
eNOS 3EAH 6.258 4.457
AKT 3QKK 4.987 4.398
GLUT 1 4JA4 Quercetin-3-O-2′,6′-dirhamnosylglucoside 4.012 dl-Malic acid 4.485
eNOS 3EAH 3.521 5.296
AKT 3QKK 4.621 5.431
GLUT 1 4JA4 Hyperin 3.123 Citric acid 3.156
eNOS 3EAH 4.022 4.471
AKT 3QKK 4.316 4.137
GLUT 1 4JA4 Kaempferol-3-O-β-d-glucopyranoside 4.655 Salicylic acid 7.954
eNOS 3EAH 6.213 5.463
AKT 3QKK 5.232 6.954
GLUT 1 4JA4 Kaempferol-3-β-glucuronide 7.298 2,4-Dihydroxybenzoic acid 5.098
eNOS 3EAH 5.433 5.071
AKT 3QKK 5.008 5.413
GLUT 1 4JA4 Kaempferol-3-O-rutinoside 4.721 Gallic acid 4.651
eNOS 3EAH 5.071 4.072
AKT 3QKK 4.921 4.987
GLUT 1 4JA4 Kaempferol-3-O-d-glucopyranosyl-(1–2)-l-rhamnoside 4.442 Caffeic acid 3.265
eNOS 3EAH 3.143 4.594
AKT 3QKK 4.321 6.841
GLUT 1 4JA4 Dihydromyricetin 8.456 Ferulic acid 3.891
eNOS 3EAH 6.266 4.095
AKT 3QKK 6.461 4.397
GLUT 1 4JA4 Myricetin 7.951 dl-Arginine 5.713
eNOS 3EAH 6.335 5.342
AKT 3QKK 4.687 6.341
GLUT 1 4JA4 Morin-3-O-galactoside 4.123 l-Pyroglutamic acid 5.153
eNOS 3EAH 4.765 3.994
AKT 3QKK 3.065 3.074
GLUT 1 4JA4 Morin 4.321 l-Phenylalanine 4.485
eNOS 3EAH 4.544 5.296
AKT 3QKK 5.021 5.431