1 |
Verapamil |
−7.34 |
−39.50 |
−97.41 |
Phe336 (π-π interaction); Met69, Phe72, Phe336, Leu339, Ile340, Phe728, Ile868, Tyr953, Phe957, Phe978, Val981, Val982, Phe983, Ala985 and Met986 (hydrophobic interaction) |
2 |
Piperine |
−7.82 |
−26.85 |
−59.72 |
Tyr307 (Hydrogen bond); Met69, Phe72, Phe336, Leu339, Phe728, Tyr953, Val982, Phe983 and Met986 (hydrophobic interaction) |
3 |
Pip1 |
−7.99 |
−26.06 |
−56.75 |
Phe72 and Phe983 (π-π interaction); Met69, Phe336, Leu339, Phe728, Tyr953, Phe978, Val982, Phe983 and Met986 (hydrophobic interaction) |
4 |
Pip2 |
−8.16 |
−35.29 |
−74.95 |
Met69, Phe336, Leu339, Phe728, Ile868, Tyr953, Phe957, Phe978, Val981, Val982, Phe983, Ala985 and Met986 (hydrophobic interaction) |