Table 1 The docking result analysis of AST and hub targets
From: Astaxanthin alleviates PM2.5-induced cardiomyocyte injury via inhibiting ferroptosis
Target protein | Binding energy (kcal/mol) | No of H bonds | Amino acid residues forming H-bond with their length in A |
|---|---|---|---|
Hmox1 | − 7.2 | 1 | SER-159 (3.4) |
Myc | − 7.7 | 2 | GLU-383 (3.2), LYS-398 (2.6) |
Nfe212 | − 6.7 | 1 | GLY-81 (2.5) |
Sirt1 | − 7.2 | 1 | LYS-183 (2.2) |
Jun | − 6.0 | 2 | SER-174 (3.5), PHE-176 (3.4) |
Map1lc3b | − 7.5 | 1 | ASN-236 (2.8) |
Tlr4 | − 7.8 | 3 | THR-497 (3.0), SER-332 (3.1), GLN-331 (2.6) |
Keap1 | − 9.5 | 1 | VAL-463 (3.3) |
Tfrc | − 8.2 | 1 | PHE-299 (2.1) |