Table 6.
Docking simulation of fabrics to PDBID:3t88 and PDBID: 2wje.
| Escherichia coli (PDB:3t88) | Streptococcus pneumoniae (PDB:2wje) | ||||||
|---|---|---|---|---|---|---|---|
| Energy affinity (kcal/mol) | Distance(Å) | Amino acids | Energy affinity (kcal/mol) | Distance(Å) | Amino acids | ||
| MCPT with fabric | |||||||
| MCPT with polyester | − 12.422 | 1.58, 3.22 Å | Asp 142, Asn 202, Val 201, Gly 199, Tyr 170 | MCPT with Polyester | − 11.8775 | 2.62 Å | Arg 206, Asn 162, Arg 139, Asp 199, His 166, Met 180, Tyr 177, Ser 165 |
| MCPT with cotton | − 13.7446 | 2.05 Å | Asp 142, Asn 237, Leu 143, Leu 236, Tyr 170 | MCPT with Cotton | − 13.0344 | 1.47, 1.49, 2.94, 2.61 Å | Tyr 177, Gly 205, Ser 165, Arg 206, Lys 171, Asp 204, Arg 176 |
| MCPT with CO/PET | − 11.1568 | 1.69,1.56 Å | Asn 224, Leu 236, Leu 229, Met 221, Asp 142, Leu 232, Leu 143, Leu 236 | MCPT with CO/PET | − 10.8244 | 2.69, 2.82, 2.45 Å | Asp 204, Lys 171, Arg 176, Gly 206, Tyr 177, Arg 206 |
| MCPT with1% WPUA and fabric | |||||||
| MCPT with 1% WPUA and polyester | − 12.632 | 1.87, 2.82 Å | Asn 40, Thr 38, Gly 78, Glu 211, Gln 26 | MCPT with 1% WPUA and polyester | − 11.521 | 2.06 Å | Gly0, Arg 35, Asp 72, Met 239 |
| MCPT with1% WPUA and cotton | − 13.945 | 1.5, 2.63 Å | Gln 223, Met 227, Ser 225, Pro 226, Leu 222, Asn 224, Met 221 | MCPT with1% WPUA and cotton | − 12.096 | 1.67, 3.21, 1.38, 3.07 Å | Lys 23, Glu 68, Val 69, Tyr 30, Gly 33, Arg19 |
| MCPT with 1% WPUA and CO/PET | − 14.325 | 2.69, 3.16, 2.9 Å | Asn 149, Arg 45, Tyr 125, Gln 165 | MCPT with 1% WPUA and CO/PET | − 12.632 | 1.95 Å | Asn 100, Asp 72, Val 238, Glu 64, Met239, Arg 236 |