Drugs in silico
Last updated: 2025 Mar 18
Total hit(s): 1321
S.No.
1
39999562
In silico tuning of binding selectivity for new SARS-CoV-2 main protease inhibitors.
Comput Methods Programs Biomed
2025 Apr
4.26
1
2
40087626
The impact of non-pharmaceutical interventions on COVID-19 transmission and its effect on life expectancy in two European regions.
BMC Public Health
2025 Mar 14
2.69
1
3
40063087
Comparative analysis of ACE2 mutations and their impact on SARS-CoV-2 susceptibility within diverse ethnic groups.
J Biomol Struct Dyn
2025 Mar 10
3.22
1
4
39929031
Rational design and synthesis of pyrazole derivatives as potential SARS-CoV-2 M(pro) inhibitors: An integrated approach merging combinatorial chemistry, molecular docking, and deep learning.
Bioorg Med Chem
2025 Feb 3
6.5
1
5
39988470
Novel Sulfonamide-Sydnone Hybrids: Complementary Insight into Anti-Inflammatory Action, Anti-SARS-CoV-2 Activity, Human Serum Albumin Interaction, and in silico Analysis.
ChemMedChem
2025 Feb 23
5.5
1
6
39985615
Development of a Peptide Aptamer-Based TRFIA for the Quantitive Detection of SARS-CoV-2 Nucleocapsid Protein.
J Fluoresc
2025 Feb 22
1
7
39985930
COVID-19 detection via isobutyric acid biomarker: A DFT computational study on beryllium-doped C60 fullerene.
J Mol Graph Model
2025 Feb 19
1.93
1
8
39972932
Exploring natural compounds and synthetic derivatives as potential inhibitors of SARS-CoV-2 PLpro: a computational approach with enzyme inhibition and cytotoxicity assessment.
J Biomol Struct Dyn
2025 Feb 19
3.22
1
9
40013067
Dihydropyrimidine-2-thione derivatives as SARS-CoV-2 main protease inhibitors: synthesis, SAR and in vitro profiling.
RSC Adv
2025 Feb 19
1
10
39965087
Integrating State-Space Modeling, Parameter Estimation, Deep Learning, and Docking Techniques in Drug Repurposing: A Case Study on COVID-19 Cytokine Storm.
J Am Med Inform Assoc
2025 Feb 18
4.46
1
11
39960606
In silico exploration of natural xanthone derivatives as potential inhibitors of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) replication and cellular entry.
J Comput Aided Mol Des
2025 Feb 17
1
12
39960901
Beneficial effects and possible mechanism of intake coffee for COVID-19: A meta-analysis and molecular docking.
Medicine (Baltimore)
2025 Feb 14
0.03
1
13
39886917
In Silico Discovery of SARS-CoV-2 Main Protease Inhibitors Using Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations.
J Phys Chem B
2025 Feb 13
2.95
1
14
39912817
Pharmacist vs physician management of e-visit requests for COVID-19 medication: A randomized clinical trial.
J Manag Care Spec Pharm
2025 Feb 1
1
15
39700666
Circulating inflammatory markers predict depressive symptomatology in COVID-19 survivors.
Cytokine
2025 Feb
2.88
1
16
39760054
Factors affecting poor prognosis of COVID-19 in people living with human immunodeficiency virus: A systematic review and meta-analysis of co-infection.
Int J Health Sci (Qassim)
2025 Jan-Feb
1
17
39793935
Population pharmacokinetics and pharmacodynamics of HFB30132A, a monoclonal antibody against SARS-CoV-2, in healthy Chinese and US subjects.
Int J Antimicrob Agents
2025 Jan 8
4.6
1
18
39885485
Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation.
BMC Complement Med Ther
2025 Jan 30
1
19
39773044
Advancements in Structural Basis of Covalent Inhibitors Targeting SARS-CoV-2 Essential Proteins.
Curr Med Chem
2025 Jan 3
3.25
1
20
39886784
Clinicopathological and in Silico Insights into Male Infertility: Agerelated Trends and Anti-sperm Antibodies Post COVID-19 Vaccination.
Curr Med Chem
2025 Jan 29
3.25
1
21
39887818
Optimization of Structure-Guided Development of Chemical Probes for the Pseudoknot RNA of the Frameshift Element in SARS-CoV-2.
Angew Chem Int Ed Engl
2025 Jan 29
11.69
1
22
39886596
Quantitative Prediction of Protein-Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD.
JACS Au
2025 Jan 27
1
23
39853882
Discovery of Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors through Rational Design of Novel Fluorinated 1,3,4-oxadiazole Amide Derivatives: An In-Silico Study.
Chem Biodivers
2025 Jan 24
1
24
39854653
Amphibian-Derived Peptides as Natural Inhibitors of SARS-CoV-2 Main Protease (M(pro)): A Combined In Vitro and In Silico Approach.
Chem Biodivers
2025 Jan 24
1
25
39843610
Identification of promising SARS-CoV-2 main protease inhibitor through molecular docking, dynamics simulation, and ADMET analysis.
Sci Rep
2025 Jan 22
4.12
1