76 Matching Annotations
  1. Aug 2026
  2. www.sciencedirect.com www.sciencedirect.com
    Conformational signatures of native ligand and pharmacochaperone binding in rhodopsin
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    sciencedirect.com/science/article/pii/S0969212626002200
  3. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Novel Triazole‐Linked Xanthine‐Steroid Hybrids: Molecular Docking and In Vitro Evaluation Against α‐Glucosidase and MCF‐7 Cells
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    pmc.ncbi.nlm.nih.gov/articles/PMC13405439/
  4. Jul 2026
  5. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Soluble Uric Acid Drives CD8+ T-cell Exhaustion by Inducing KSR1-Mediated MAPK Hyperactivation
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    pmc.ncbi.nlm.nih.gov/articles/PMC13370115/
  6. aacrjournals.org aacrjournals.org
    USP20-Driven Cholesterol Metabolism Links Inflammatory Signaling to Malignancy and Stromal Co-evolution in Pancreatic Cancer
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    aacrjournals.org/cancerres/article/86/3/712/771921/USP20-Driven-Cholesterol-Metabolism-Links
  7. Jun 2026
  8. onlinelibrary.wiley.com onlinelibrary.wiley.com
    Benzo[e][1,2,4]triazolo[1,5-c][1,2,3]triazines: Design, Synthesis, and Cytotoxic Effects
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    onlinelibrary.wiley.com/doi/10.1002/cbdv.71416
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    ssrn-6360221-html.html
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    Expansion, functional diversification, and gene fusion events in the Ato protein family
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    sciencedirect.com/science/article/pii/S2589004226018420
  11. May 2026
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    Multitarget inhibition of biofilm, virulence, and quorum sensing of Pseudomonas aeruginosa by FDA-approved natural bioactives
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    sciencedirect.com/science/article/pii/S0882401026003219
  13. advanced.onlinelibrary.wiley.com advanced.onlinelibrary.wiley.com
    Gut Mycobiota-Associated Tryptophan Catabolites Protect Against Metabolic Dysfunction-Associated Steatotic Liver Disease
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    advanced.onlinelibrary.wiley.com/doi/10.1002/advs.202514830
  14. Apr 2026
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    Astragaloside IV directly targets PPP1R14B to sensitize prostate cancer to anti-PD-1 immunotherapy by remodeling the CX3CL1/CD8+ T cell axis
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    sciencedirect.com/science/article/pii/S0944711326003922
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    Gut-microbiota-derived 3-indoleacrylic acid alleviates neonatal necrotizing enterocolitis by inhibiting epithelial necroptosis
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    sciencedirect.com/science/article/pii/S2666379126001382
  17. Mar 2026
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    Hijacking ERAD for targeted degradation of transmembrane proteins
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    sciencedirect.com/science/article/pii/S0092867426001054
  19. onlinelibrary.wiley.com onlinelibrary.wiley.com
    High-throughput transcriptome mining and in silico screening reveal saccharide feeding stimulants for Cydia pomonella larvae
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    onlinelibrary.wiley.com/doi/10.1002/npp2.70037
  20. Feb 2026
  21. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.70364
  22. www.nature.com www.nature.com
    Epigenetic regulation of NDGA and its synergistic inhibition with EZH2 inhibitors in prostate cancer via NRP1
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    nature.com/articles/s41401-026-01754-4
  23. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Ze-qi Decoction Inhibits Neutrophil Extracellular Trap Formation to Suppress the Progression and Metastasis of Non-Small Cell Lung Cancer
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    pmc.ncbi.nlm.nih.gov/articles/PMC12909755/
  24. Jan 2026
  25. www.nature.com www.nature.com
    PDZRN4 suppresses lung adenocarcinoma progression via inhibiting ubiquitin-mediated HIF-1A degradation
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    nature.com/articles/s41388-025-03670-z
  26. Dec 2025
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  28. Oct 2025
  29. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Proteome mining of Yersinia Enterocolitica for drug targets and computational inhibitor identification with ADMET, anti-inflammation potential and formulation characteristics
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    pmc.ncbi.nlm.nih.gov/articles/PMC12482588/
  30. Sep 2025
  31. www.sciencedirect.com www.sciencedirect.com
    Bacterial anti-toxin HigA dysregulates host intestinal serotonin homeostasis in a T6SS-dependent manner
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    sciencedirect.com/science/article/pii/S2211124725009830
  32. Jul 2025
  33. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Dual-specific autophosphorylation of kinase IKK2 enables phosphorylation of substrate IκBα through a phosphoenzyme intermediate
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    pmc.ncbi.nlm.nih.gov/articles/PMC12208667/
  34. May 2025
  35. 52.53.155.43 52.53.155.43
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  37. Feb 2025
  38. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    In silico molecular docking and molecular dynamic simulation of agarwood compounds with molecular targets of Alzheimer’s disease
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    pmc.ncbi.nlm.nih.gov/articles/PMC11809694/
  39. Dec 2024
  40. www.wjgnet.com www.wjgnet.com
    SARS-CoV-2 proteins show great binding affinity to resin composite monomers and polymerized chains
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    wjgnet.com/2220-315x/full/v15/i1/94022.htm
  41. Nov 2024
  42. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    Identification of ATP-Competitive Human CMG Helicase Inhibitors for Cancer Intervention that Disrupt CMG-Replisome Function
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    pmc.ncbi.nlm.nih.gov/articles/PMC11532780/
  43. pmc.ncbi.nlm.nih.gov pmc.ncbi.nlm.nih.gov
    In silico drug repurposing using molecular docking and dynamics to target the protein interaction between the SARS-CoV-2 S-glycoprotein and the ACE2 receptor
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    pmc.ncbi.nlm.nih.gov/articles/PMC11519612/
  44. Aug 2024
  45. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    In silico screening for potential inhibitors from the phytocompounds of Carica papaya against Zika virus NS5 protein
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    ncbi.nlm.nih.gov/pmc/articles/PMC11310656/
  46. link.springer.com link.springer.com
    A Complex Interplay Between Melatonin and RORβ: RORβ is Unlikely a Putative Receptor for Melatonin as Revealed by Biophysical Assays
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    link.springer.com/article/10.1007/s12035-024-04395-y
  47. Jul 2024
  48. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  49. link.springer.com link.springer.com
    Exposure to a sublethal dose of technical grade flubendiamide hampers angiogenesis in the chicken chorioallantoic membrane
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    link.springer.com/article/10.1007/s43188-024-00254-z
  50. Jun 2024
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    Enhancing hepatoprotective action: oxyberberine amorphous solid dispersion system targeting TLR4
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    link.springer.com/article/10.1038/s41598-024-65190-2
  52. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    PredCoffee: A binary classification approach specifically for coffee odor
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    ncbi.nlm.nih.gov/pmc/articles/PMC11167484/
  53. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  54. Apr 2024
  55. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    TBL38 atypical homogalacturonan-acetylesterase activity and cell wall microdomain localization in Arabidopsis seed mucilage secretory cells
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    ncbi.nlm.nih.gov/pmc/articles/PMC11043868/
  56. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  57. www.sciencedirect.com www.sciencedirect.com
    The essential malaria protein PfCyRPA targets glycans to invade erythrocytes
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    sciencedirect.com/science/article/pii/S2211124724003401
  58. www.cell.com www.cell.com
    Structural basis of ligand specificity and channel activation in an insect gustatory receptor
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    cell.com/cell-reports/fulltext/S2211-1247(24)00363-2
  59. Dec 2023
  60. f1000research.com f1000research.com
    <i>In silico</i> drug repurposing using molecular docking and dynamics to target the protein interaction between the SARS-CoV-2 S-glycoprotein and the ACE2 receptor
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    f1000research.com/articles/12-1452
  61. Oct 2023
  62. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  63. Aug 2023
  64. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    Identification of Selective ATP-Competitive CMG Helicase Inhibitors for Cancer Intervention that Disrupt CMG-Replisome Function
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    ncbi.nlm.nih.gov/pmc/articles/PMC10441460/
  65. Jul 2023
  66. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    Computer-aided drug design approaches applied to screen natural product’s structural analogs targeting arginase in Leishmania spp
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    ncbi.nlm.nih.gov/pmc/articles/PMC10323282/
  67. Jun 2023
  68. f1000research.com f1000research.com
    <i>In silico</i> screening for potential inhibitors from the phytocompounds of <i>Carica papaya</i> against Zika virus NS5 protein
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    f1000research.com/articles/12-655
  69. f1000research.com f1000research.com
    F1000Research Article: Pharmacokinetic and pharmacodynamic profiling of compounds similar to paracetamol from zinc database: an <i>in silico</i> analysis.
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    f1000research.com/articles/12-720
  70. 52.53.155.43 52.53.155.43
    Nigella sativa L. seed extracts promote wound healing progress by activating VEGF and PDGF signaling pathways: An in vitro and in silico study
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    52.53.155.43/5bdf97259e6359b1530f244da22bcd912c621229/14947f9c-b9d2-4cd7-bc33-d6dcea25dc36_132106_-_chella_perumal_palanisamy-html.html
  71. 52.53.155.43 52.53.155.43
    Virtual screening of zinc compounds similar to NSAIDS with better pharmacodynamic and pharmacokinetic profiles
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    52.53.155.43/40ed8239170cda29dbd144f77a8cf91c57b6812a/6491c0f7-d84e-4e28-be5f-1dd7107d3463_132017_-_faith_kamakia-html.html
  72. Apr 2023
  73. link.springer.com link.springer.com
    Homology Modeling, Screening, and Identification of Potential FOXO6 Inhibitors Curtail Gastric Cancer Progression: an In Silico Drug Repurposing Approach
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    link.springer.com/article/10.1007/s12010-023-04490-1
  74. onlinelibrary.wiley.com onlinelibrary.wiley.com
    Oncogene-mediated nuclear accumulation of lactate promotes epigenetic alterations to induce cancer cell proliferation
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    onlinelibrary.wiley.com/doi/10.1002/jcb.30381
  75. Mar 2023
  76. f1000research.com f1000research.com
    F1000Research Article: In silico molecular docking and molecular dynamic simulation of agarwood compounds with molecular targets of Alzheimer’s disease .
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    f1000research.com/articles/12-230
  77. Aug 2022
  78. f1000research.com f1000research.com
    F1000Research Article: New findings on ligand series used as SARS-CoV-2 virus inhibitors within the frameworks of molecular docking, molecular quantum similarity and chemical reactivity indices.
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    f1000research.com/articles/11-914
  79. Jun 2022
  80. www.sciencedirect.com www.sciencedirect.com
    Mussel-inspired monomer – A new selective protease inhibitor against dentine collagen degradation
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    sciencedirect.com/science/article/pii/S010956412200149X
  81. Apr 2022
  82. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.15841
  83. Oct 2021
  84. www.sciencedirect.com www.sciencedirect.com
    Identification of docosahexaenoic and eicosapentaenoic acids multiple targets facing periodontopathogens
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    sciencedirect.com/science/article/pii/S0882401021005404
  85. onlinelibrary.wiley.com onlinelibrary.wiley.com
    A novel receptor for platelet-activating factor and lysophosphatidylcholine in Trypanosoma cruzi
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    onlinelibrary.wiley.com/doi/10.1111/mmi.14778
  86. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    Cheonggukjang-Specific Component 1,3-Diphenyl-2-Propanone as a Novel PPARα/γ Dual Agonist: An In Vitro and In Silico Study
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    ncbi.nlm.nih.gov/pmc/articles/PMC8509681/
  87. Aug 2021
  88. link.springer.com link.springer.com
    An Insilico evaluation of phytocompounds from Albizia amara and Phyla nodiflora as cyclooxygenase-2 enzyme inhibitors
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    link.springer.com/article/10.1007/s40199-021-00408-6
  89. link.springer.com link.springer.com
    Tryptophan Improves Memory Independent of Its Role as a Serotonin Precursor: Potential Involvement of Microtubule Proteins
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    link.springer.com/article/10.1007/s12031-019-01457-y
  90. Jul 2021
  91. elifesciences.org elifesciences.org
    Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics
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    elifesciences.org/articles/47150
  92. www.frontiersin.org www.frontiersin.org
    Pentapeptide Protects INS-1 Cells From hIAPP-Mediated Apoptosis by Enhancing Autophagy Through mTOR Pathway
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    frontiersin.org/articles/10.3389/fphar.2019.00896/full
  93. onlinelibrary.wiley.com onlinelibrary.wiley.com
    Molecular docking predictions of fragrance binding to human leukocyte antigen molecules
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    onlinelibrary.wiley.com/doi/full/10.1111/cod.13283
  94. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
    A photoswitchable GABA receptor channel blocker
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    bpspubs.onlinelibrary.wiley.com/doi/full/10.1111/bph.14689
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    Untitled document
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    sciencedirect.com/science/article/pii/S1534580718309729
  96. May 2021
  97. www.sciencedirect.com www.sciencedirect.com
    Comprehensive analysis of genomic alterations, clinical outcomes, putative functions and potential therapeutic value of MMP11 in human breast cancer
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    sciencedirect.com/science/article/pii/S2452014420302661
  98. Apr 2021
  99. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    Dental workers in front-line of COVID-19: an in silico evaluation targeting their prevention
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    ncbi.nlm.nih.gov/pmc/articles/PMC8007088/
  100. Mar 2021
  101. www.sciencedirect.com www.sciencedirect.com
    A synthetic diterpene analogue inhibits mycobacterial persistence and biofilm formation by targeting (p)ppGpp synthetases
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    sciencedirect.com/science/article/pii/S2451945621000441
  102. Sep 2020
  103. www.ncbi.nlm.nih.gov www.ncbi.nlm.nih.gov
    Certain ortho-hydroxylated brominated ethers are promiscuous kinase inhibitors that impair neuronal signaling and neurodevelopmental processes
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    ncbi.nlm.nih.gov/pmc/articles/PMC7196656/
  104. Jan 2020
  105. www.sciencedirect.com www.sciencedirect.com
    Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking
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    sciencedirect.com/science/article/pii/S0969212619301984
  106. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
    The citrus flavanone hesperetin preferentially inhibits slow‐inactivating currents of a long QT syndrome type 3 syndrome Na+ channel mutation
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    bpspubs.onlinelibrary.wiley.com/doi/full/10.1111/bph.14577
  107. Nov 2018
  108. www.sciencedirect.com www.sciencedirect.com
    Regulation of the Hippo Pathway by Phosphatidic Acid-Mediated Lipid-Protein Interaction
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    sciencedirect.com/science/article/pii/S1097276518306981
  109. Nov 2017
  110. www.sciencedirect.com www.sciencedirect.com
    Novel Organelles with Elements of Bacterial and Eukaryotic Secretion Systems Weaponize Parasites of Drosophila
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    sciencedirect.com/science/article/pii/S096098221731028X
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    Inhibitory actions of bisabolol on α7-nicotinic acetylcholine receptors
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    sciencedirect.com/science/article/pii/S0306452215007435