Table 8 Chemical interactions of compound 6g with amino residues of 2VF5.
From: New chalcone derivatives as potential antimicrobial and antioxidant agent
Ligand | Receptor | Interaction | Distance (Å) | E (kcal/mol) |
|---|---|---|---|---|
O 1 | OE2 GLU 488 | H-donor | 2.96 | − 0.7 |
O 1 | OE2 GLU 488 | H-donor | 2.96 | − 0.7 |
O 1 | N SER 401 | H-acceptor | 2.98 | − 0.3 |
O 1 | N SER 401 | H-acceptor | 2.98 | − 0.3 |
O 12 | N VAL 605 | H-acceptor | 3.36 | − 0.5 |
O 12 | N VAL 605 | H-acceptor | 3.36 | − 0.5 |
6-ring | CB CYS 300 | pi-H | 4.16 | − 0.2 |
6-ring | N THR 302 | pi-H | 4.46 | − 0.3 |
6-ring | CB CYS 300 | pi-H | 4.16 | − 0.2 |
6-ring | N THR 302 | pi-H | 4.46 | − 0.3 |
