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. 2022 Dec 28;12(1):63. doi: 10.3390/antiox12010063
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