Keyphrases
Acetylcholinesterase and Butyrylcholinesterase
47%
Arenes
47%
Binding Site
31%
Biological Activity
35%
Biological Activity Studies
23%
Calix
47%
Cancer Cell Lines
31%
Cancer Cells
34%
Carbonic Anhydrase
47%
Computational Approach
23%
COVID-19
47%
Cytotoxic Effect
35%
Cytotoxicity
28%
Dimethylamine
23%
Docking Dynamics
35%
Drug Repurposing
36%
Effect Modelling
23%
Ethyl
23%
G Protein-coupled Receptor
28%
Glioblastoma multiforme
47%
High-level Synthesis
23%
Hit Compound
28%
HIV Protease Inhibitors
28%
HIV-1 Protease
31%
Human Carbonic Anhydrase
47%
Human Carbonic Anhydrase II
23%
In Silico
52%
In Silico Inhibition
23%
In Silico Methods
35%
In Silico Study
30%
In Vitro Study
55%
Inclusion Complex
27%
Inhibitory Activity
26%
Main Protease
33%
Molecular Docking
41%
Molecular Dynamics Simulation
56%
Molecular Mechanics Generalized Born Surface Area (MM-GBSA)
26%
Molecular Modeling
31%
Molecular Modeling Studies
60%
Multiscale Molecular Modeling
26%
Multiscale Simulation
23%
Potential Inhibitors
26%
Quercetin
23%
Radical Polymerization
23%
Screening Approach
26%
Small Molecules
31%
Sulfonate
23%
Supramolecular Interactions
23%
Synthesized Compounds
31%
Virtual Screening
28%
Pharmacology, Toxicology and Pharmaceutical Science
Acetylcholinesterase
39%
Acetylsalicylic Acid
23%
Allatostatin
23%
Alpha Lactose
23%
B Cell Leukemia
23%
Binding Site
27%
Caffeic Acid Phenethyl Ester
23%
Carbamic Acid Derivative
23%
Carbonate Dehydratase
15%
Carbonate Dehydratase I
31%
Carbonate Dehydratase II
31%
Carbonate Dehydratase IX
23%
Carbonate Dehydratase XII
23%
Cholinesterase
47%
Cholinesterase Inhibitor
23%
Coumarin Derivative
23%
Cytotoxicity
28%
Denopamine
14%
Deubiquitinase
23%
Dimethylamine
23%
Disease
15%
Drug Formulation
23%
Drug Repositioning
52%
Drug Resistance
14%
Ester Derivative
23%
Free Radical
23%
Glioblastoma
47%
Histone Deacetylase 1
23%
Histone Deacetylase 6
23%
HIV
28%
Human Immunodeficiency Virus Proteinase
27%
Liver Cell Carcinoma
23%
Malignant Neoplasm
100%
Methacrylate
23%
Naringenin
23%
Polycyclic Aromatic Hydrocarbon
47%
Proteinase
43%
Proteinase Inhibitor
31%
Quantitative Structure-Activity Relationship
39%
Quercetin
23%
Receptor
23%
Ritonavir
14%
Rotigaptide
23%
SARS Coronavirus
47%
Schiff Base
23%
Tacrine
23%
Thaumetopoea
23%
Triazole
15%
Tumor Growth
23%
Virtual Screening
28%