Drugs in silico
Total hit(s): 119
S.No.
1
33823185
Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PL(PRO) and 3CL(PRO) proteases
Eur J Pharmacol
2021 Jun 15
3.24
2
33775840
Identification of non-covalent SARS-CoV-2 main protease inhibitors by a virtual screen of commercially available drug-like compounds
Bioorg Med Chem Lett
2021 Jun 1
3
33957246
Identification of non-covalent 3C-like protease inhibitors against severe acute respiratory syndrome coronavirus-2 via virtual screening of a Korean compound library
Bioorg Med Chem Lett
2021 May 3
4
33934306
In silico screening of potent bioactive compounds from honeybee products against COVID-19 target enzymes
Environ Sci Pollut Res Int
2021 May 2
~
5
33716308
Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies
Chem Phys Lett
2021 May 16
1.92
6
33970798
A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers
J Biomol Struct Dyn
2021 May 10
3.22
7
33721736
Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases
Comput Biol Med
2021 May
2.93
8
33935562
Therapeutic development by repurposing drugs targeting SARS-CoV-2 spike protein interactions by simulation studies
Saudi J Biol Sci
2021 Apr 28
9
33907209
A computational approach to aid clinicians in selecting anti-viral drugs for COVID-19 trials
Sci Rep
2021 Apr 27
4.12
10
33896392
Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study
J Biomol Struct Dyn
2021 Apr 26
3.22
11
33784094
Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening
J Chem Inf Model
2021 Apr 26
4.04
12
33839740
SMMPPI: a machine learning-based approach for prediction of modulators of protein-protein interactions and its application for identification of novel inhibitors for RBD:hACE2 interactions in SARS-CoV-2
Brief Bioinform
2021 Apr 12
5.45
13
33844135
Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach
Mol Divers
2021 Apr 12
14
33868970
Virtual screening by targeting proteolytic sites of furin and TMPRSS2 to propose potential compounds obstructing the entry of SARS-CoV-2 virus into human host cells
J Tradit Complement Med
2021 Apr 12
15
33795718
Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity
Sci Rep
2021 Apr 1
4.12
16
33822042
Pan-selectin inhibitors as potential therapeutics for COVID-19 treatment: in silico screening study
Glycobiology
2021 Apr 1
17
33531865
Aurintricarboxylic acid and its metal ion complexes in comparative virtual screening versus Lopinavir and Hydroxychloroquine in fighting COVID-19 pandemic: Synthesis and characterization
Inorg Chem Commun
2021 Apr
1
18
33845270
Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning
Comput Biol Med
2021 Mar 30
2.93
19
33775827
In-silico screening for identification of potential inhibitors against SARS-CoV-2 transmembrane serine protease 2 (TMPRSS2)
Eur J Pharm Sci
2021 Mar 26
3.66
20
33759279
Plant-derived chemicals as potential inhibitors of SARS-CoV-2 main protease (6LU7), a virtual screening study
Phytother Res
2021 Mar 23
21
33749545
On the search for COVID-19 therapeutics: identification of potential SARS-CoV-2 main protease inhibitors by virtual screening, pharmacophore modeling and molecular dynamics
J Biomol Struct Dyn
2021 Mar 22
3.22
22
33776210
Docking and in silico toxicity assessment of Arthrospira compounds as potential antiviral agents against SARS-CoV-2
J Appl Phycol
2021 Mar 20
23
33794459
Virtual screening of plant-derived compounds against SARS-CoV-2 viral proteins using computational tools
Sci Total Environ
2021 Mar 17
5.9
24
33518856
A computational approach for the screening of potential antiviral compounds against SARS-CoV-2 protease: Ionic liquid vs herbal and natural compounds
J Mol Liq
2021 Mar 15
4.85
1
25
33715592
In silico drug designing for COVID-19: an approach of high-throughput virtual screening, molecular, and essential dynamics simulations
J Biomol Struct Dyn
2021 Mar 10
3.22