BDMC |
Bisdemethoxycurcumin |
Bis-epoxirane |
1,4-butanediol diglycidyl ether |
CDNB |
1-chloro-2,4-dinitrobenzene |
DM100 |
2,6-bis(3-methoxy-4-hydroxy-benzylidene)cyclohexanone |
DM101 |
(1E,4E)-1,5-bis-(3-methoxy-4-hydroxy-phenyl)penta-1,4-dien-3-one |
DM109 |
(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one |
DM148 |
(1E,4E)-1,5-bis(3,4-dihydroxyphenyl)penta-1,4-dien-3-one |
DM15 |
2,6-dibenzylidenecyclohexanone |
DM15 |
2,6-dibenzylidenecyclohexanone |
DM151 |
2,6-bis(3,4-dihydroxybenzylidene)cyclohexanone |
DM46 |
2,6-bid(4-methoxybenzylidene)cyclohexanone |
DM57 |
2,6-bis(3,4-dihydroxybenzylidene)cyclohexanone |
DM62 |
(2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone |
DM95 |
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one |
DM96 |
1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one |
DMC |
Demethoxycurcumin |
DMSO |
Dimethyl sulfoxide |
E. coli
|
Escherichia coli
|
EDTA |
Ethylenediaminetetraacetic acid |
ESP |
Electrostatic potential |
FBS |
Fetal bovine serum |
GAFF |
General AMBER force field |
GSH |
Glutathione |
GSTs |
Glutathione transferases |
IPTG |
Isopropyl-β-D-thiogalactopyranoside |
LIE |
Linear interaction energy |
LRA |
Linear response approximation |
LRF |
Local reaction field |
MD |
Molecular dynamics simulations |
MTT |
(3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl-tetrazolium bromide) |
NaCl |
Sodium chloride |
NCSR |
National Center for Scientific Research |
PLIP |
Protein Ligand Interaction Profiler |
RESP |
Restricted electrostatic charge fitting procedure |
RMR6 |
Radial-mean-reduced scoring function at a cutoff radius of 6 Å from each atom of the ligand |
RMSD |
Root-mean-square deviation |
RMSF |
Root-mean-square fluctuation |
SCAAS |
Surface constraint all-atom solvent |
SDS |
Sodium dodecyl sulfate |
SDS-PAGE |
Sodium dodecyl sulphate–polyacrylamide gel electrophoresis |