Results: 5000
DESIGN OF NON-COVALENT DUAL-ACTING INHIBITORS FOR PROTEASES M<sup>PRO</sup> AND PL<sup>PRO</sup> OF CORONAVIRUS SARS-COV-2 THROUGH EVOLUTIONARY LIBRARY GENERATION, PHARMACOPHORE PROFILE MATCHING, AND MOLECULAR DOCKING CALCULATIONS.
- Published in:
- ScienceRise: Pharmaceutical Science, 2024, v. 52, n. 6, p. 15, doi. 10.15587/2519-4852.2024.313808
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- Publication type:
- Article
Pharmacological investigation of genistein for its therapeutic potential against nitroglycerin-induced migraine headache.
- Published in:
- Journal of Pharmacy & Pharmacology, 2025, v. 77, n. 1, p. 76, doi. 10.1093/jpp/rgae084
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- Publication type:
- Article
The crystal structure of Nictaba reveals its carbohydrate-binding properties and a new lectin dimerization mode.
- Published in:
- Glycobiology, 2024, v. 34, n. 12, p. 1, doi. 10.1093/glycob/cwae087
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- Publication type:
- Article
Interaction studies unveil potential binding sites on bovine serum albumin for gut metabolite trimethylamine n-oxide (TMAO).
- Published in:
- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-024-01375-0
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- Publication type:
- Article
In silico evaluation, characterization, and in vitro anticancer activity of curcumin–nimbin loaded nanoformulation in HCT-116 cell lines.
- Published in:
- Biotechnologia, 2024, v. 105, n. 4, p. 355, doi. 10.5114/bta.2024.145256
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- Publication type:
- Article
Study of Gnetum gnemon metabolites as potential anti-breast and prostate cancer by metabolomic and molecular docking.
- Published in:
- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 12, p. 120, doi. 10.7324/JAPS.2024.170723
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- Publication type:
- Article
Cinnamate-amine hybrids: Antituberculosis activity and molecular docking.
- Published in:
- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 12, p. 060, doi. 10.7324/JAPS.2024.189426
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- Publication type:
- Article
In silico design of sitagliptin bioisosteres as new inhibitors of Mpro SARS-CoV-2.
- Published in:
- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 12, p. 145, doi. 10.7324/JAPS.2024.192856
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- Publication type:
- Article
Computational structure – biological activity and retrosynthesis investigations of 1,2,3-triazole-quinoline hybrid molecules as potential respiratory virus inhibitors.
- Published in:
- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 9, p. 491, doi. 10.1007/s10593-024-03367-3
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- Publication type:
- Article
Insights into antimalarial and anti-tuberculosis activities of Schiff base transition metal complexes: molecular docking and ADMET profiling approaches: Insights into antimalarial and anti-tuberculosis activities of Schiff base...: B. Kumar et al.
- Published in:
- Research on Chemical Intermediates, 2025, v. 51, n. 1, p. 411, doi. 10.1007/s11164-024-05448-6
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- Publication type:
- Article
Identification of ALEKSIN as a novel multi-IRF inhibitor of IRF- and STAT-mediated transcription in vascular inflammation and atherosclerosis.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1471182
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- Publication type:
- Article
Synthesis, 3D-QSAR and Molecular Docking of Hydroxamate Inhibitors.
- Published in:
- Chemistry & Industry of Forest Products, 2024, v. 44, n. 6, p. 83, doi. 10.3969/j.issn.0253-2417.2024.06.010
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- Publication type:
- Article
In silico Analysis and Molecular Docking of Cry3Aa Toxin with Coleopteran Specific Midgut Receptor of ADAM10/APN Receptors.
- Published in:
- Agricultural Science Digest, 2024, v. 44, n. 6, p. 1140, doi. 10.18805/ag.D-5955
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- Publication type:
- Article
Integrative transcriptome profiling for identifying ALS potential treatment using the drug repurposing approach.
- Published in:
- Egyptian Journal of Medical Human Genetics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s43042-025-00648-0
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- Publication type:
- Article
Corrigendum: Efficacy of Oroxylin A in ameliorating renal fibrosis with emphasis on Sirt1 activation and TGF-β/Smad3 pathway modulation.
- Published in:
- 2025
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- Correction Notice
Single-cell sequencing analysis reveals cancer-associated pericyte subgroup in esophageal squamous cell carcinoma to predict prognosis.
- Published in:
- Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2024.1474673
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- Publication type:
- Article
(THIO)XANTHONES-MEDIATED P-GLYCOPROTEIN ACTIVATION: AN IN SILICO STUDY.
- Published in:
- Revista de Toxicología, 2024, v. 41, n. 2, p. 107
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- Publication type:
- Article
Correlation and diagnostic significance of CD4 T cell subsets and NLRP3 inflammasome in ulcerative colitis: the role of the NLRP3/T-bet/GATA3 axis.
- Published in:
- BMC Gastroenterology, 2025, v. 25, n. 1, p. 1, doi. 10.1186/s12876-025-03603-w
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- Publication type:
- Article
Characterization of the ligand-binding properties of odorant-binding protein 38 from Riptortus pedestris when interacting with soybean volatiles.
- Published in:
- Frontiers in Physiology, 2025, p. 1, doi. 10.3389/fphys.2024.1475489
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- Publication type:
- Article
基于网络药理学和分子对接技术 研究消包丸治疗包虫病的作用机制.
- Published in:
- Feed Research, 2024, v. 47, n. 22, p. 105, doi. 10.13557/j.cnki.issn1002-2813.2024.22.019
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- Publication type:
- Article
Design, Synthesis, Molecular docking and Biological Evaluation of Novel Leucine Derived Sulfamoyl Pentanamides as Antimicrobial and Antioxidant Agents.
- Published in:
- Jordan Journal of Pharmaceutical Sciences, 2024, v. 17, n. 4, p. 687, doi. 10.35516/jjps.v17i4.2467
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- Publication type:
- Article
Deciphering curcumin and piperine's anti-amyloidogenic capabilities using an in silico method: A look at ligand-target complex formation.
- Published in:
- Boletín Latinoamericano y del Caribe de Plantas Medicinales y Aromáticas, 2025, v. 24, n. 2, p. 256, doi. 10.37360/blacpma.25.24.2.19
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- Publication type:
- Article
EVALUATION OF ANTICANCER ACTIVITY OF SOME CHEMICAL CONSTITUENT FROM WEDELIA PLANT BY USING IN SILICO APPROACH.
- Published in:
- Biochemical & Cellular Archives, 2024, p. 3507, doi. 10.51470/bca.2024.24.1-S.3507
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- Publication type:
- Article
IN-SILICO MOLECULAR DOCKING AND ADME EVALUATION OF FICUS RACEMOSA PHYTOCONSTITUENTS TARGETING GLUCOKINASE AND DIHYDROOROTATE DEHYDROGENASE FOR DIABETES MANAGEMENT.
- Published in:
- Biochemical & Cellular Archives, 2024, p. 3477, doi. 10.51470/bca.2024.24.1-S.3477
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- Publication type:
- Article
Variations in metabolite fingerprints of Tinospora species targeting metabolic disorders: an integrated metabolomics and network pharmacology approach.
- Published in:
- Metabolomics, 2025, v. 21, n. 1, p. 1, doi. 10.1007/s11306-024-02209-9
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- Publication type:
- Article
Investigation of antibacterial mode of action of ω-aminoalkoxylxanthones by NMR-based metabolomics and molecular docking: Investigation of antibacterial mode of action of ω-aminoalkoxylxanthones...: P. D. de Oliveira et al.
- Published in:
- Metabolomics, 2025, v. 21, n. 1, p. 1, doi. 10.1007/s11306-024-02197-w
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- Publication type:
- Article
Assessing the efficacy of iso-mukaadial acetate and betulinic acid against selected Plasmodium falciparum glycolytic pathway proteins: in silico and in vitro studies.
- Published in:
- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-025-01380-x
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- Publication type:
- Article
Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study.
- Published in:
- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-024-01369-y
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- Publication type:
- Article
Docking heparan sulfate-based ligands as a promising inhibitor for SARS-CoV-2.
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 1, p. 1, doi. 10.1007/s00894-024-06236-0
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- Publication type:
- Article
Investigation of a novel Schiff base Catena-((μ<sub>6</sub>-(E)-2-((4-methoxy-2-oxidobenzylidene)ammonio)ethane-1-sulfonato potassium as a potential antibacterial agent.
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 1, p. 1, doi. 10.1007/s00894-024-06219-1
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- Publication type:
- Article
Application of PolyPRep tools on HIV protease polyproteins using molecular docking.
- Published in:
- Brazilian Journal of Biology, 2024, v. 84, p. 1, doi. 10.1590/1519-6984.245592
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- Publication type:
- Article
In silico approach for predicting the bioactive compound of Cyperus rotundus to inhibit NF-kB and iNOS signaling pathways.
- Published in:
- Brazilian Journal of Biology, 2024, v. 84, p. 1, doi. 10.1590/1519-6984.278323
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- Publication type:
- Article
Optoelectronic and anti-cancerous activity of Indole-7-carboxaldehyde.
- Published in:
- Optical & Quantum Electronics, 2025, v. 57, n. 1, p. 1, doi. 10.1007/s11082-024-08002-1
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- Publication type:
- Article
Protein-ligand binding affinity prediction using multi-instance learning with docking structures.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1518875
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- Publication type:
- Article
Correction: Exploration of bioactive molecules from Sesbania grandiflora (L.): identification of squalene as an effective compound against the two-spotted spider mite, Tetranychus urticae Koch, through molecular docking.
- Published in:
- 2025
- By:
- Publication type:
- Correction Notice
Single-cell and bulk RNA sequencing analysis reveals CENPA as a potential biomarker and therapeutic target in cancers.
- Published in:
- PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0314745
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- Publication type:
- Article
Xylitol exposure and cardiovascular risk.
- Published in:
- European Heart Journal, 2025, v. 46, n. 3, p. 328, doi. 10.1093/eurheartj/ehae730
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- Publication type:
- Article
Investigation of Chemical Composition, Antioxidant Properties, and Molecular Docking in Different Roasting Stages of Coffee Beans.
- Published in:
- Food & Bioprocess Technology, 2025, v. 18, n. 2, p. 1464, doi. 10.1007/s11947-024-03539-1
- By:
- Publication type:
- Article
Isoprenaline Inhibits Histone Demethylase LSD1 to Induce Cardiac Hypertrophy.
- Published in:
- Cardiovascular Toxicology, 2025, v. 25, n. 1, p. 34, doi. 10.1007/s12012-024-09937-3
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- Publication type:
- Article
SYNTHESIS, CHARACTERIZATION, ANTIOXIDANT ACTIVITY, DOCKING AND SIMULATION OF POTENTIAL ANTICANCER AGENTS OF AZO DYE FOR PYRIDYL AND ITS PALLADIUM(II) COMPLEX.
- Published in:
- Bulletin of the Chemical Society of Ethiopia, 2025, v. 39, n. 2, p. 287, doi. 10.4314/bcse.v39i2.8
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- Publication type:
- Article
Differentially Expressed Genes (DEGs) Analysis and In Silico Studies Identify Tumor Necrosis Factor (TNF) Inhibition and Peroxisome Proliferator-Activated Receptor Alpha (PPARA) Activation as Targets for Gallic Acid Derivatives in Insulin Resistance.
- Published in:
- Tropical Journal of Natural Product Research, 2024, v. 8, n. 12, p. 9476, doi. 10.26538/tjnpr/v8i12.19
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- Publication type:
- Article
ENHANCING DRUG-TARGET INTERACTIONS THROUGH DUAL-DRUG DOCKING: A COMPUTATIONAL STUDY OF DICLOFENAC-HEPARIN COMPLEXES WITH FACTOR X<sub>A</sub>.
- Published in:
- Journal of Science & Arts, 2024, v. 24, n. 4, p. 973, doi. 10.46939/J.Sci.Arts-24.4-b04
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- Publication type:
- Article
Lipid nanocarrier-based bigel of Piper betel oil for analgesic and anti-inflammatory applications.
- Published in:
- Journal of Microencapsulation, 2025, v. 42, n. 1, p. 47, doi. 10.1080/02652048.2024.2430651
- By:
- Publication type:
- Article
Exploring similarities and differences in anti-atherosclerotic potential bioactives among Dendrobium species by UPLC-Q-Exactive Orbitrap MS.
- Published in:
- NPJ Science of Food, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41538-025-00371-5
- By:
- Publication type:
- Article
Integrated approach with UHPLC-Q-Exactive-tandem mass spectrometry, network analysis, and molecular docking to determine potential active compounds and mechanisms of Rhizoma Musae decoction in osteoarthritis treatment.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1380335
- By:
- Publication type:
- Article
Molecular docking study of 2,4-disubstituted thiazole derivatives as antiulcer activity.
- Published in:
- 2024
- By:
- Publication type:
- Abstract
Enhanced compound selection using holistic virtual screening for gatifloxacin analogues to overcome dysglycemic effects.
- Published in:
- International Journal of Biology & Chemistry, 2024, v. 17, n. 2, p. 130, doi. 10.26577/IJBCh2024v17.i2.10
- By:
- Publication type:
- Article
Novel 3-benzylbenzo[d]thiazol-2(3H)-iminium salts as potent DNA benzylating agents: design, synthesis, MTT assay, and DFT calculation.
- Published in:
- International Journal of Biology & Chemistry, 2024, v. 17, n. 2, p. 121, doi. 10.26577/IJBCh2024v17.i2.9
- By:
- Publication type:
- Article
Mechanistic insight into the cholinergic, muscarinic and antagonistic effects of Khat (Catha edulis) on native nicotinic acetylcholine receptors.
- Published in:
- Tropical Journal of Pharmaceutical Research, 2024, v. 23, n. 12, p. 1991, doi. 10.4314/tjpr.v23i12.4
- By:
- Publication type:
- Article
Evaluation of the Alkaloids as Inhibitors of Human Acetylcholinesterase by Molecular Docking and ADME Prediction.
- Published in:
- In Vivo, 2025, v. 39, n. 1, p. 236, doi. 10.21873/invivo.13822
- By:
- Publication type:
- Article