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. 2020 May 6;5(19):10782–10793. doi: 10.1021/acsomega.0c00379

Table 1. Geometric Score, Interface Area Size, and Desolvation Energy (ACE) of GLUT2/SGLT1 Interactions with the Studied Aglycone Flavonoids and Their Glycosidic Forms.

transporter ligand score area ACE transformation
Glut2 quercetin 4134 471.80 –234.23 –0.38, −0.00, −2.39, 585.05, −43.81, 179.96
  Q-3-G 5422 572.80 –80.81 –1.47, 0.60, −1.19, 586.61, −29.97, 205.93
  rutin 5536 629.60 –14.59 3.02, 0.48, −1.11, 577.45, −10.29, 204.91
  cyanidin 4168 439.20 –69.75 –1.02, 1.32, −1.26, 586.64, −32.38, 204.32
  C-3-G 5558 595.30 –109.12 1.44, 0.98, −1.07, 586.41, −30.42, 205.51
  cyanin 6646 778.80 –166.44 1.58, −1.10, −1.17, 585.79, −30.41, 205.72
SGLT1 quercetin 4030 432.10 –142.25 –1.59, 0.95, −1.41, 7.26, −27.48, −44.76
  Q-3-G 5450 639.90 –321.94 –0.28, −0.84, −0.87, 8.89, −23.03, −64.14
  rutin 5760 795.20 –472.46 2.37, −0.61, −0.69, 9.21, −23.50, −64.64
  cyanidin 4140 449.10 –106.15 –1.13, −0.51, −2.78, 1.97, −39.68, −50.14
  C-3-G 5520 677.80 –311.17 0.23, 0.81, −3.04, 10.66, −23.79, −66.20
  cyanin 6442 817.80 –367.19 –0.96, 0.89, −2.55, 9.18, −23.61, −62.92