Drugs in silico
Last updated: 2025 Jun 18
Total hit(s): 1364
S.No.
1
40329514
Integrating immune library probing with structure-based computational design to develop potent neutralizing nanobodies against emerging SARS-CoV-2 variants.
MAbs
2025 Dec
10
1
2
40252899
Discovery of cinnamoyl-flavonoid hybrid derivatives as inhibitors of SARS-CoV-2 M(pro) and anti-inflammatory agents: Experimental and in silico insights into their efficacy against lipopolysaccharide-induced lung injury.
Eur J Pharmacol
2025 Jul 5
3.24
1
3
40503682
The mutation rate of SARS-CoV-2 is highly variable between sites and is influenced by sequence context, genomic region, and RNA structure.
Nucleic Acids Res
2025 Jun 6
27.7
1
4
40464176
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation.
Med Chem
2025 Jun 3
1
5
40459233
Functional and structural characterization of treatment-emergent nirmatrelvir resistance mutations at low frequencies in the main protease (Mpro) reveals a unique evolutionary route for SARS-CoV-2 to gain resistance.
J Infect Dis
2025 Jun 3
4.73
1
6
40517145
Structural adaptability of SARS-CoV-2 Nsp1 with the host network.
Eur Biophys J
2025 Jun 14
1
7
40253909
SARS-CoV-2 NSP2 specifically interacts with cellular protein SmgGDS.
Biochem Biophys Res Commun
2025 Jun 1
2.73
1
8
40466425
Combinatorial chemistry-driven In silico design and computational evaluation of covalent peptidomimetic SARS-CoV-2 main protease inhibitors via structure-based virtual screening and multivariate analysis.
J Mol Graph Model
2025 Jun 1
1.93
1
9
40421686
Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors.
Acta Crystallogr D Struct Biol
2025 Jun 1
1
10
40160515
In silico studies to understand the interactions of flavonoid inhibitor with nsp12-RNA dependent RNA polymerase of SARS-CoV-2 and its homologs.
Biochem Biophys Rep
2025 Jun
1.65
1
11
40522277
Papain-Like Protease of SARS-CoV-2 Induces Intestinal Inflammation via the ISG15 Pathway: Identification of Natural Compound Inhibitors.
J Med Virol
2025 Jun
2.07
1
12
40335518
Exploring the therapeutic potential of Thymus vulgaris ethanol extract: a computational screening for antimicrobial compounds against COVID-19 induced mucormycosis.
Sci Rep
2025 May 7
4.12
1
13
40436944
Drug repurposing targeting COVID-19 3CL protease using molecular docking and machine learning regression approaches.
Sci Rep
2025 May 28
4.12
1
14
40418545
COVID-19 clinical outcomes and N-acetylcysteine (CoViNAC study): a GRADE compliant meta-analysis of randomized controlled trials with molecular docking and dynamics simulation studies with Mpro of SARS-CoV-2.
Cell Mol Biol (Noisy-le-grand)
2025 May 26
1.46
1
15
40387979
Risk tools for predicting long-term sequelae based on symptom profiles after known and undetected SARS-CoV-2 infections in the population.
Eur J Epidemiol
2025 May 19
6.02
1
16
40379662
Identification of naturally occurring drug-resistant mutations of SARS-CoV-2 papain-like protease.
Nat Commun
2025 May 16
11.8
1
17
40372136
NMR Structural Characterization of SARS-CoV-2 ORF6 Reveals an N-Terminal Membrane Anchor.
J Am Chem Soc
2025 May 15
25
1
18
40199011
Synthesis of new selective agents with dual anti-inflammatory and SARS-CoV-2 M(pro) inhibitory activity: Antipyrine-celecoxib hybrid analogues; COX-2, COVID-19 cytokine storm and replication inhibitory activities.
Bioorg Chem
2025 Apr 3
3.94
1
19
40362339
The Binding of Brazilin from C. sappan to the Full-Length SARS-CoV-2 Spike Proteins.
Int J Mol Sci
2025 Apr 25
4.21
1
20
40274940
Exploring Erythrina flavonoids as potential SARS-CoV-2 RdRp inhibitors through virtual screening, in silico ADMET evaluation, and molecular dynamics simulation studies.
Sci Rep
2025 Apr 24
4.12
1
21
40259874
A patent review of anti-coronavirus agents targeting the spike-ACE2 interaction (2019-present).
Expert Opin Ther Pat
2025 Apr 24
1
22
40277059
Curcumin-Based Virtual Screening Identifies Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding.
Med Chem
2025 Apr 23
1
23
40263343
Identification of potential SARS-CoV-2 inhibitors among well-tolerated drugs using drug repurposing and in vitro approaches.
Sci Rep
2025 Apr 22
4.12
1
24
40267263
Impact of COVID-19 School Learning Model on STI Testing, Diagnosis Rates, and Related Behaviors.
Sex Transm Dis
2025 Apr 22
3.3
1
25
40185429
Allosteric mutations impact the catalytic activity and oligomeric state of the main protease of coronavirus.
Int J Biol Macromol
2025 Apr 2
4.94
1