Keyphrases
Molecular Docking
100%
Potential Inhibitors
83%
Molecular Dynamics Simulation
81%
Docking Dynamics
59%
In Silico Methods
59%
Sirtuin 1 (SIRT1)
49%
Anticancer Agents
40%
Molecular Mechanics Generalized Born Surface Area (MM-GBSA)
39%
Binding Energy
37%
Computational Study
35%
Molecular Insight
33%
Simulation Approach
33%
Pharmacokinetics
33%
MM-PBSA
23%
Active Sites
23%
ADMET
22%
Anticancer Activity
22%
SARS-CoV-2 Virus
22%
Re-docking
20%
Density Functional Theory
20%
Pyranocoumarins
20%
Structure-based Approaches
19%
In Silico Study
19%
COVID-19
18%
Ester Synthesis
16%
Ester Derivatives
16%
DFT Modeling
16%
Nitrostyrene
16%
DD13
16%
Dihydropyrimidinone Derivatives
16%
SARS-CoV-19
16%
Dolabellane Diterpenes
16%
AlteQ
16%
Antimicrobial Studies
16%
Protein Tyrosine Phosphatase 1B (PTP1B)
16%
Benzamide
16%
Tert
16%
CAMP Signaling
16%
HSD17B1
16%
Cyclin-dependent Kinase 9 (CDK9)
16%
17β-hydroxysteroid Dehydrogenase
16%
Trimer
16%
Stilbenoids
16%
SARS-CoV-2 Main Protease
16%
Surabaya
16%
Molecular Modeling
16%
β-sitosterol
16%
Drug Combination
16%
Anticancer Potential
16%
Bioactivity
16%
Antiviral Agents
16%
Cyclooxygenase-2 Inhibitors
16%
Inhibitory Mechanism
16%
In Vitro Assessment
16%
Hydroxychloroquine
16%
Molecular Dynamics
16%
Uncaria Gambir
16%
Lopinavir
16%
Indonesia
16%
Estrogenic
16%
Dual Drug
16%
Oleanolic Acid
16%
Computational Approach
16%
Main Protease Proteins
16%
Hospitalized Patients
16%
HeLa
16%
Nordentatin
16%
Cyclooxygenase-2
16%
Glucosidase
16%
Antibiofilm
16%
Antibiotics
16%
Cytotoxic Activity
16%
In Vitro Study
16%
Pseudomonas Aeruginosa (P. aeruginosa)
16%
Catechin
16%
2-Styrylchromones
16%
Kinesin-5
16%
Amino Acid Residues
15%
Binding Residues
14%
Generalized Born
13%
Inhibitory Activity
13%
Azithromycin
12%
IC50 Value
11%
QM-MM
11%
Key Binding
11%
Area Approach
11%
Phosphomannomutase
11%
Phosphoglucomutase
11%
Small Molecules
11%
Breast Cancer
11%
HeLa Cell Line
9%
Inhibition Mechanism
9%
Drug-likeness
8%
Promising Target
8%
Absorption Distribution Metabolism Excretion
8%
Lumiracoxib
8%
Cancer Regulation
8%
In Vitro Evaluation
8%
In Silico Evaluation
8%
Inhibition Activity
8%
Pharmacology, Toxicology and Pharmaceutical Science
Malignant Neoplasm
51%
Pharmacokinetics
45%
Anticarcinogen
36%
Amino Acid
36%
Sirtuin 1
33%
Proteinase
33%
SARS Coronavirus
33%
Hydrogen Bond
26%
Receptor
24%
Molecular Docking Simulations
23%
Cytotoxicity
22%
Bioavailability
20%
Anticancer Drug
19%
Pyranocoumarin Derivative
19%
Molecular Mechanic
19%
Absorption-Distribution-Metabolism-Excretion Toxicity
17%
Ester Derivative
16%
Phosphomannomutase
16%
Phosphoglucomutase
16%
Protein Tyrosine Phosphatase 1B
16%
Protein Tyrosine Phosphatase 1B Inhibitor
16%
Benzamide
16%
Oleanolic Acid
16%
Testosterone 17beta Dehydrogenase
16%
Cyclin Dependent Kinase 9
16%
Arginine
16%
Uncaria
16%
Sitosterol
16%
Breast Cancer
16%
Combination Drug
16%
Diterpene
16%
Antivirus Agent
16%
Antiinfective Agent
16%
Cyclooxygenase 2
16%
Pseudomonas aeruginosa
16%
Hydroxychloroquine
16%
COX-2 Inhibitor
16%
Lopinavir Plus Ritonavir
16%
Severe Acute Respiratory Syndrome
16%
Glucosidase
16%
Catechin
16%
Antibiotics
16%
Kinesin
16%
3,4,5,6 Tetrahydro 1 Morpholinomethyl 2(1h) Pyrimidinone
12%
Natural Product
12%
Azithromycin
12%
Absorption Distribution Metabolism Excretion
12%
Diseases
12%
IC50
12%
Non Insulin Dependent Diabetes Mellitus
11%
Hydroxycarbamide
9%
Pyroxylin
8%
Pseudomonas Infection
8%
Saccharic Acid
8%
Cysteine
8%
Antifungal Activity
8%
Serine
8%
Electronegativity
8%
Lumiracoxib
8%
Triterpenoid
8%
Steroids
8%
Syzygium
8%
Ascorbic Acid
8%
Sorbitol
8%
Crystal Violet
8%
Uterine Cervix Cancer
8%
Tartaric Acid
8%
Antimicrobial Agent
8%
Microorganism
8%
Medicinal Plant
8%
EC50
8%
Favipiravir
6%
Doxycycline
6%
Dimer
5%