Drugs in silico
Last updated: 2024 May 18
Total hit(s): 1158
S.No.
1
38086763
Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies.
J Enzyme Inhib Med Chem
2024 Dec
8.6
1
2
38713760
Correction to "Exploration of SARS-CoV-2 3CL(pro) Inhibitors by Virtual Screening Methods, FRET Detection, and CPE Assay".
J Chem Inf Model
2024 May 7
4.04
1
N/A
3
38759218
Molecular docking based comparative study of antiviral compounds on SARS-CoV-2 spike protein.
Nat Prod Res
2024 May 17
3.9
1
4
38694063
Role of ribosomal pathways and comorbidity in COVID-19: Insight from SARS-CoV-2 proteins and host proteins interaction network analysis.
Heliyon
2024 May 15
1.65
1
5
38734638
Abrogation of ORF8-IRF3 binding interface with Carbon nanotube derivatives to rescue the host immune system against SARS-CoV-2 by using molecular screening and simulation approaches.
BMC Chem
2024 May 11
1
6
38732174
Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking.
Int J Mol Sci
2024 May 1
4.21
1
7
38550333
Investigation of phytochemicals isolated from selected Saudi medicinal plants as natural inhibitors of SARS CoV-2 main protease: In vitro, molecular docking and simulation analysis.
Saudi Pharm J
2024 May
5.6
1
8
38592189
Prediction of deleterious non-synonymous SNPs of TMPRSS2 protein combined with Molecular Dynamics Simulations and free energy analysis to identify the potential peptide substrates against SARS-CoV-2.
J Biomol Struct Dyn
2024 Apr 9
3.22
1
9
38576396
Antibiotics daptomycin interacts with S protein of SARS-CoV-2 to promote cell invasion of omicron (B1.1.529) pseudovirus.
Virulence
2024 Apr 5
4.81
1
10
38582181
Validated machine learning tools to distinguish immune checkpoint inhibitor, radiotherapy, COVID-19 and other infective pneumonitis.
Radiother Oncol
2024 Apr 4
4.92
1
11
38728643
Drug repurposing: identification of SARS-CoV-2 potential inhibitors by virtual screening and pharmacokinetics strategies.
J Infect Dev Ctries
2024 Apr 30
1.26
1
12
38653779
Potential therapeutic targets for COVID-19 complicated with pulmonary hypertension: a bioinformatics and early validation study.
Sci Rep
2024 Apr 23
4.12
1
13
38655479
Quinazolines and thiazolidine-2,4-dions as SARS-CoV-2 inhibitors: repurposing, in silico molecular docking and dynamics simulation.
RSC Adv
2024 Apr 22
1
14
38675980
The Dual-Targeted Fusion Inhibitor Clofazimine Binds to the S2 Segment of the SARS-CoV-2 Spike Protein.
Viruses
2024 Apr 20
3.76
1
15
38632526
The plasma proteome differentiates the multisystem inflammatory syndrome in children (MIS-C) from children with SARS-CoV-2 negative sepsis.
Mol Med
2024 Apr 17
6.9
1
16
38616188
Molecular modelling studies and in vitro enzymatic assays identified A 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-CoV-2 Mpro.
Sci Rep
2024 Apr 14
4.12
1
17
38423371
Synthesis, SARS-CoV-2 main protease inhibition, molecular docking and in silico ADME studies of furanochromene-quinoline hydrazone derivatives.
Bioorg Med Chem Lett
2024 Apr 1
4.9
1
18
38508555
Identification of potential vaccine targets for elicitation of host immune cells against SARS-CoV-2 by reverse vaccinology approach.
Int J Biol Macromol
2024 Apr
4.94
1
19
38460087
In Silico Prediction of Functional SNPs Interrupting Antioxidant Defense Genes in Relation to COVID-19 Progression.
Biochem Genet
2024 Mar 9
1
20
38456332
Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand Design, Molecular Docking and Nonequilibrium Alchemical Simulations.
ChemMedChem
2024 Mar 8
5.5
1
21
38443855
Identification of biomarkers and pathways for the SARS-CoV-2 infections in obstructive sleep apnea patients based on machine learning and proteomic analysis.
BMC Pulm Med
2024 Mar 5
2.21
1
22
38553521
A new DNA aptamer which binds to SARS-CoV-2 spike protein and reduces pro-inflammatory response.
Sci Rep
2024 Mar 29
4.12
1
23
38535992
Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins.
J Am Soc Mass Spectrom
2024 Mar 27
1
24
36415456
In-silico docking platform with serine protease inhibitor (SERPIN) structures identifies host cysteine protease targets with significance for SARS-CoV-2.
bioRxiv
2024 Mar 27
- n/a -
1
25
38520147
Discovery of small molecule entry inhibitors targeting the linoleic acid binding pocket of SARS-CoV-2 spike protein.
J Biomol Struct Dyn
2024 Mar 23
3.22
1