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Table 6 Amino acid-interaction, bond distance and type of ligand-receptor interaction

From: Design, synthesis, docking studies and antibiotic evaluation (in vitro) of some novel (E)-4-(3-(diphenylamino)phenyl)-1-(4-methoxyphenyl)-2-methylbut-3-en-1-one and their analogues

Ligand/compound Protein interaction Bond distance (Å) Type of bond interaction
1a TRP202
VAL101
VAL198
VAL360
CYS429
LEU430
LEU108
LEU110
4.93594
4.97629
5.11692
5.2578
5.37315
5.13073
5.23057
5.32372
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
1b ARG92
ARG427
LEU430
VAL470
TRP202
TRP202
LEU108-SER109
VAL428-CYS429
LEU110
VAL360
LEU108
LEU430
2.22588
1.83408
3.21564
3.86767
3.83466
4.53881
5.28813
5.18984
5.48518
5.10827
5.29357
5.0342
Hydrogen Bond
Hydrogen Bond
Hydrogen Bond
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
1c VAL198
LEU227
CYS429
VAL360
ILE471
VAL101
ILE291
TRP202
4.6017
5.18326
4.28371
4.8503
5.47831
5.41637
5.32346
4.24247
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
1d LEU64
PRO93
PRO95
VAL69
LEU40
VAL212
LEU362
ILE386
PRO365
VAL384
TYR98
3.17822
3.24979
3.67448
4.27875
4.96375
5.16423
4.85287
4.62883
5.40796
5.17048
4.2068
Halogen
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
2a ARG427
LYS121
VAL470
TRP202
VAL360
LEU364
LEU108
LEU430
2.5449
4.0569
3.73562
4.34337
5.2863
5.48907
5.44454
5.35682
Hydrogen Bond
Electrostatic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
2b LEU64
ILE386
PRO95
PRO365
LEU40
ILE209
5.08451
4.65396
5.23623
4.89571
4.99849
5.41451
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
2c ILE291
VAL101
VAL198
VAL360
LEU108
CYS429
LEU430
3.51114
4.15088
4.80089
5.35382
5.29535
5.47704
4.95443
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
2d ARG234
VAL360
CYS429
LEU199
ILE471
VAL101
ILE291
2.91932
3.43541
4.3062
5.46418
5.47336
4.66462
5.09895
Hydrogen Bond-Halogen
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Hydrophobic
Fluconazole ASP288
VAL470
TRP202
LEU110
2.18916
2.64556
4.34172
3.88479
Hydrogen Bond
Hydrogen Bond
Hydrophobic
Hydrophobic
Ciproflaxacin SER469
LEU40
GLN42
LEU40
LEU41
2.57816
2.33333
2.66041
4.92581
5.17388
Hydrogen Bond
Hydrogen Bond
Hydrogen Bond
Hydrophobic
Hydrophobic