80 Matching Annotations
  1. Oct 2026
  2. www.sciencedirect.com www.sciencedirect.com
    Punicalin targets RSV glycoprotein and fusion protein at non-overlapping sites to prevent viral escape
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    sciencedirect.com/science/article/pii/S2666379126004957
  3. Sep 2026
  4. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
    A low dose of the γ-secretase inhibitor DAPT improves learning and memory by regulating the NaV1.6/Notch axis in C57BL/6 male mice
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.70369
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    A computer-aided drug repurposing: the antibacterial agents targeting GroEL
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.70252
  6. www.scienceopen.com www.scienceopen.com
    Machine Learning-Guided Discovery of NEU1-Targeting Natural Compounds with Relevance to Mitochondrial Dysfunction-Linked, Fatigue-Associated Neurodegeneration in Alzheimer’s Disease
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  7. Aug 2026
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    Conformational signatures of native ligand and pharmacochaperone binding in rhodopsin
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    sciencedirect.com/science/article/pii/S0969212626002200
  9. 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/
  10. Jul 2026
  11. 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/
  12. 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
  13. Jun 2026
  14. 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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    Expansion, functional diversification, and gene fusion events in the Ato protein family
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    sciencedirect.com/science/article/pii/S2589004226018420
  17. 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
  19. 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
  20. Apr 2026
  21. www.sciencedirect.com www.sciencedirect.com
    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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    Gut-microbiota-derived 3-indoleacrylic acid alleviates neonatal necrotizing enterocolitis by inhibiting epithelial necroptosis
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    sciencedirect.com/science/article/pii/S2666379126001382
  23. Mar 2026
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    Hijacking ERAD for targeted degradation of transmembrane proteins
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    sciencedirect.com/science/article/pii/S0092867426001054
  25. 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
  26. Feb 2026
  27. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.70364
  28. 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
  29. 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/
  30. Jan 2026
  31. 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
  32. Dec 2025
  33. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.70222
  34. Oct 2025
  35. 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/
  36. Sep 2025
  37. 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
  38. Jul 2025
  39. 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/
  40. May 2025
  41. 52.53.155.43 52.53.155.43
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  43. Feb 2025
  44. 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/
  45. Dec 2024
  46. 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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  47. Nov 2024
  48. 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/
  49. 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/
  50. Aug 2024
  51. 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/
  52. 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
  53. Jul 2024
  54. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  55. 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
  56. 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
  58. 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/
  59. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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    f1000research.com/articles/12-1332
  60. Apr 2024
  61. 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/
  62. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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  63. 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
  64. 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
  65. Dec 2023
  66. 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
  67. Oct 2023
  68. f1000research.com f1000research.com
    Developing potential drugs for insomnia through computational analysis
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  69. Aug 2023
  70. 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/
  71. Jul 2023
  72. 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/
  73. Jun 2023
  74. 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
  75. 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
  76. 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
  77. 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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  78. Apr 2023
  79. 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
  80. 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
  81. Mar 2023
  82. 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
  83. Aug 2022
  84. 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
  85. Jun 2022
  86. 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
  87. Apr 2022
  88. bpspubs.onlinelibrary.wiley.com bpspubs.onlinelibrary.wiley.com
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    bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.15841
  89. Oct 2021
  90. 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
  91. 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
  92. 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/
  93. Aug 2021
  94. 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
  95. 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
  96. Jul 2021
  97. 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
  98. 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
  99. 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
  100. 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
  101. www.sciencedirect.com www.sciencedirect.com
    Untitled document
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    sciencedirect.com/science/article/pii/S1534580718309729
  102. May 2021
  103. 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
  104. Apr 2021
  105. 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/
  106. Mar 2021
  107. 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
  108. Sep 2020
  109. 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/
  110. Jan 2020
  111. 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
  112. 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
  113. Nov 2018
  114. 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
  115. Nov 2017
  116. 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
  117. www.sciencedirect.com www.sciencedirect.com
    Inhibitory actions of bisabolol on α7-nicotinic acetylcholine receptors
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    sciencedirect.com/science/article/pii/S0306452215007435