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Docking simulations between Mt-I and Mt-II with palmitoyl phospholipids (head or complete structure) from DENV envelope.
| PLA2s affinity (kcal/mol) | Phospholipids |
|||||
|---|---|---|---|---|---|---|
| POPC |
POPE |
POPS |
||||
| Head | Complete | Head | Complete | Head | Complete | |
| Mt-I | −5.1 | −5.4 | −4.7 | −5.1 | −5.0 | −5.4 |
| Mt-II | −4.3 | −4.5 | −4.3 | −4.7 | −4.3 | −4.8 |
POPC - 1-palmitoyl-2-oleoylphosphatidylcholine; POPE - 1-palmitoyl-2-oleoylphosphatidylethanolamine; POPS - 1-palmitoyl-2-oleoylphosphatidylserine.
