Drugs in silico
Last updated: 2024 Nov 18
Total hit(s): 1249
S.No.
1
39226846
Eugenol's electrochemical behavior, complexation interaction with copper chloride, antioxidant activity, and potential drug molecular docking application for Covid-19.
Colloids Surf B Biointerfaces
2024 Dec
1
2
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
3
39541975
The ALS drug riluzole binds to the C-terminal domain of SARS-CoV-2 nucleocapsid protein and has antiviral activity.
Structure
2024 Nov 8
9.2
1
4
39489517
Integrated machine learning to predict the prognosis of lung adenocarcinoma patients based on SARS-COV-2 and lung adenocarcinoma crosstalk genes.
Cancer Sci
2024 Nov 3
1
5
39535926
AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors.
J Chem Inf Model
2024 Nov 13
4.04
1
6
39528493
Spatial and temporal transmission dynamics of respiratory syncytial virus in New Zealand before and after the COVID-19 pandemic.
Nat Commun
2024 Nov 11
11.8
1
7
39398138
Inhibition of the SARS-CoV-2 Non-structural Protein 5 (NSP5) Protease by Nitrosocarbonyl-Bases Small Molecules.
ACS Omega
2024 Oct 8
2.55
1
8
39398139
Binding Mechanism of the Active Form of Molnupiravir to RdRp of SARS-CoV-2 and Designing Potential Analogues: Insights from Molecular Dynamics Simulations.
ACS Omega
2024 Oct 8
2.55
1
9
39407649
Exploration of Specific Fluoroquinolone Interaction with SARS-CoV-2 Main Protease (Mpro) to Battle COVID-19: DFT, Molecular Docking, ADME and Cardiotoxicity Studies.
Molecules
2024 Oct 5
3.01
1
10
39482662
The signature of SARS-CoV-2-related genes predicts the immune therapeutic response and prognosis in breast cancer.
BMC Med Genomics
2024 Oct 31
2.63
1
11
38821329
Deciphering inhibitory activity of marine algae Ecklonia cava phlorotannins against SARS CoV-2 main protease: A coupled in-silico docking and molecular dynamics simulation study.
Gene
2024 Oct 30
2.71
1
12
39364869
Integrated Exploration of Pyranocoumarin Derivatives as Synergistic Inhibitors of Dual-target for Mpro and PLpro Proteins of SARS-CoV-2 through Molecular Docking, ADMET Analysis, and Molecular Dynamics Simulation.
Curr Med Chem
2024 Oct 3
3.25
1
13
39442074
Design, Synthesis, Biological Evaluation and Molecular Docking Studies of New Thiazolidinone Derivatives as NNRTIs and SARS-CoV-2 Main Protease Inhibitors.
Chem Biodivers
2024 Oct 23
1
14
39461355
Immunogenicity of a booster dose of a bivalent (Asp614Gly and omicron BA.4/5 variant) self-amplifying mRNA SARS-CoV-2 booster vaccine versus the BNT162b2 omicron BA.4/5 mRNA vaccine: a randomised phase 3 trial.
Lancet Infect Dis
2024 Oct 23
21.77
1
15
39456932
Rheumatoid Arthritis and COVID-19 at the Intersection of Immunology and Infectious Diseases: A Related PRISMA Systematic Literature Review.
Int J Mol Sci
2024 Oct 17
4.21
1
16
39387584
Mutation of a highly conserved isoleucine residue in loop 2 of several beta-coronavirus macrodomains indicates that enhanced ADP-ribose binding is detrimental for replication.
J Virol
2024 Oct 10
4.16
2
17
39357326
Identification of nitrile-containing isoquinoline-related natural product derivatives as coronavirus entry inhibitors in silico and in vitro.
Biomed Pharmacother
2024 Oct 1
3.83
1
18
39031747
Phytoconstituents of Citrus limon (Lemon) as Potential Inhibitors Against Multi Targets of SARS-CoV-2 by Use of Molecular Modelling and In Vitro Determination Approaches.
ChemistryOpen
2024 Oct
1
19
39225011
Targeting SARS-CoV2 spike glycoprotein: molecular insights into phytocompounds binding interactions - in-silico molecular docking.
J Biomater Sci Polym Ed
2024 Sep 3
1
20
39326254
Evaluation of inhibition effect and interaction mechanism of antiviral drugs on main protease of novel coronavirus: Molecular docking and molecular dynamics studies.
J Mol Graph Model
2024 Sep 24
1.93
1
21
39236733
Effect of timing of casirivimab and imdevimab administration relative to mRNA-1273 COVID-19 vaccination on vaccine-induced SARS-CoV-2 neutralising antibody responses: a prospective, open-label, phase 2, randomised controlled trial.
Lancet Infect Dis
2024 Sep 2
21.77
1
22
39297030
Identification of lead inhibitors for 3CLpro of SARS-CoV-2 target using machine learning based virtual screening, ADMET analysis, molecular docking and molecular dynamics simulations.
RSC Adv
2024 Sep 12
1
23
39259728
A comprehensive study of SARS-CoV-2 main protease (Mpro) inhibitor-resistant mutants selected in a VSV-based system.
PLoS Pathog
2024 Sep
6.18
1
24
38974021
Development of an ancestral DC and TLR4-inducing multi-epitope peptide vaccine against the spike protein of SARS-CoV and SARS-CoV-2 using the advanced immunoinformatics approaches.
Biochem Biophys Rep
2024 Sep
1.65
1
25
39118822
In silico screening and evaluation of antiviral peptides as inhibitors against ORF9b protein of SARS-CoV-2.
3 Biotech
2024 Sep
2.27
1