Keyphrases
1,3-Butadiene
23%
1,4-benzoquinone
38%
3D-QSAR
23%
Acetylcholinesterase Inhibitors (AChEI)
28%
Adrenergic Receptors
28%
Anthracenone
28%
Aryloxy-quinones
38%
B3LYP/6-31G
25%
Biological Activity
33%
Catalytic Effect
38%
Cellular Respiration
47%
Comparative Molecular Similarity Indices Analysis (CoMSIA)
38%
Computational Methods
38%
Cycloaddition
23%
Cytotoxicity
23%
DFT Study
57%
Diels-Alder Reaction
38%
Dienes
38%
Dimethyl
38%
Electron Density
22%
Electrophilicity
57%
Fourier Transform Infrared Spectroscopy (FT-IR)
25%
Heat Shock Protein 90 (Hsp90)
28%
Hydrogen Bonds (H-bonds)
41%
Hydroquinone
23%
Intramolecular Diels-Alder Reaction
76%
Lewis Acids
38%
Meroditerpenoids
28%
Methyl
60%
Mirabegron
25%
Molecular Docking
36%
Molecular Dynamics
22%
Molecular Mechanism
38%
New Ligand
28%
Nucleophilicity
28%
Quantitative Structure-activity Relationship
38%
Quinone Derivatives
44%
Quinones
60%
Reactivity Indices
25%
Regioselectivity
59%
Spectroscopic Techniques
25%
Stereo
23%
Structure-activity Relationship
23%
Three-dimensional Quantitative Structure-activity Relationship
38%
Transition State
42%
Triacetate
28%
Trypanocidal Activity
76%
Trypanosoma Cruzi (T. cruzi)
31%
Trypanothione Reductase
25%
Tumor Cells
38%
Chemistry
1,4-benzoquinone
38%
2H NMR Spectroscopy
19%
Antioxidant Agent
19%
Benzaldehyde
19%
Binding Energy
19%
Bioactivity
28%
Butadiene
27%
Cholinesterase Inhibitor
28%
Density Functional Theory
99%
DFT-B3LYP Calculation
61%
Dichloromethane
19%
Diels-Alder Intramolecular Cycloaddition
76%
Diels-Alder Reaction
100%
Double Bond
25%
Electron Density
41%
Electrophilicity
66%
Erysotrine
19%
Ethylene
19%
Fourier Transform Infrared Spectroscopy
19%
GIAO
28%
Gibbs Free Energy
33%
Hydrogen Bonding
35%
Hydroquinone
31%
IC50
42%
Indole
23%
Lewis Acid
38%
Magnetic Field
19%
Metabolite
19%
Molecular Dynamics
20%
Molecular Dynamics Study
19%
Nifurtimox
28%
NMR Spectroscopy
57%
Nucleophilicity
31%
Organic Reaction
19%
Ozonolysis
19%
QSAR Study
19%
Quinone
57%
Regioselectivity
59%
Sesquiterpene
19%
Single Crystal X-Ray Diffraction
19%
Solvation
31%
Stereoselectivity
21%
Structure
85%
Substance Spectroscopy
19%
Terpyridines
19%
Thiol
19%
Thiophene
19%
Transition State
33%
Trypanocidal Agent
19%
X-Ray Diffraction
22%