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. 2021 Jul 15;11:14539. doi: 10.1038/s41598-021-93285-7

Table 5.

Results of molecular docking of compounds K1 and K2.

Target PDB ID Reference Docking predicted binding energy (Kcal/mol)
K1 K2
DNA 1MNV 29 − 10.6 − 10.6
DNA gyrase 3TTZ 30,31 − 7.3 − 7.6
Dihydropteroate synthase 2VEG 30,32 − 10.7 − 10.9
Dihydrofolate Reductase 3SRW 30,33 − 6.3 − 8.1
Glucosamine-fructose-6-phosphate aminotransferase 2VF5 34,35 − 8.6 − 8.4
Isoleucyl-tRNA synthetase 1JZQ 30,36 − 11.6 − 11.3
Tyrosyl-tRNA synthetase 1JIJ 37,38 − 7.2 − 7.6
Penicillin-binding protein 1a 3UDI 30,39 − 7.2 − 7.2
UDP-N-acetylmuramoyl-L-alanine:D-glutamate (MurD) ligase 2X5O 40,41 − 11.4 − 11.3