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. 2022 Feb 4;13:800986. doi: 10.3389/fphar.2022.800986

TABLE 1.

Scoring functions (kcal/mol) and amino acid interactions for PGG and famotidine docked to two receptors (EP4 and EP3).

Compound EP4 EP3
Score Interactions Score Interactions
PGG −25.34 Thr 168 (H bonding) −28.42 Met 137 (H bonding)
Ser 319 (H bonding) Asp 99 (H bonding)
Ser 95 (H bonding) Met 58 (H bonding)
ARG 316 (H bonding) Phe 140 (H bonding)
Thr 76 (H bonding) Met 137 (H bonding)
Arg 333 (H bonding)
Phe 209 (H-pi and H bonding)
Famotidine −11.35 Cys 170 (H bonding) −14.05 Met 137 (H bonding)
Arg 316 (H bonding) Tyr 114 (H bonding)
Ser 95 (H bonding) Phe 140 (H-pi)
Val 72 (H bonding)