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  1. 6761

    Omission or Generalization? Subject-Verb Agreement among Young Norwegian Learners of English by Kristin Killie

    Published 2021-12-01
    “…Overgeneraliseringa av -s ser ut til å begynne før 12–13-års alderen for en del språkinnlærere, men den er tilsynelatende vanligere blant 15–16-åringene. Et annet tema er om subjekt-verb-kongruens påvirkes av faktorer som subjektets kompleksitet og avstanden mellom subjektets kjerne og det bøyde verbet. …”
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  2. 6762

    Enhancement of Cognitive Benefits and Anti-Anxiety Effects of <i>Phytolacca americana</i> Fruits in a Zebrafish (<i>Danio rerio</i>) Model of Scopolamine-Induced Memory Impairment by Lucia-Florina Popovici, Ion Brinza, Florentina Gatea, Georgiana Ileana Badea, Emanuel Vamanu, Simona Oancea, Lucian Hritcu

    Published 2025-01-01
    “…In silico analyses were performed to evaluate the pharmacokinetic characteristics of the phenolic compounds discerned in the two extracts, using platforms such as SwissAdme, Molinspiration, ProToX-III, AdmetLab 3.0, PKCSM, and PASS. Anxiety-like behavior and memory performance were assessed through specific behavioral assays, including the novel tank test (NTT), light/dark test (LD), novel approach test (NAT), Y-maze, and novel object recognition (NOR). …”
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  3. 6763

    Novel thiazolyl-pyrimidine derivatives as potential anticancer agents: Synthesis, biological evaluation, and molecular docking studies by Tariq Z. Abolibda, Abdel-Aziz A.A. El-Sayed, Basant Farag, Magdi E.A. Zaki, Abdulwahed Alrehaily, Hossein M. Elbadawy, Ahmad A. Al-Shahri, Saleh R. Alsenani, Sobhi M. Gomha

    Published 2025-01-01
    “…The compounds may serve as adjuvants in cancer treatment. In silico ADMET studies revealed that the synthesized compounds exhibit favorable oral bioavailability profiles.…”
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  4. 6764

    In silico molecular docking and molecular dynamic simulation of agarwood compounds with molecular targets of Alzheimer’s disease  [version 2; peer review: 2 approved, 1 not approve... by Tewin Tencomnao, Krishna Swamy V. K. D, Prem Kumar Borugadda, Vishwambar Vishnu Bhandare, Vishal S. Patil, Phaniendra Alugoju

    Published 2024-12-01
    “…Methods This study used Molsoft tools to predict the physicochemical properties of agarwood ligands, including the number of H-bond donors and acceptors, polar surface area, lipophilicity, solubility, and the molecular polar surface area and volume of agarwood ligands. Additionally, ADMET (absorption, digestion, metabolism, excretion, and toxicity) properties were predicted using ADMETlab 2.0. …”
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  5. 6765

    Exploring the antifungal potential of Cannabis sativa-derived stilbenoids and cannabinoids against novel targets through in silico protein interaction profiling by Kevser Kübra Kırboğa, Aman Karim, Ecir Uğur Küçüksille, Mithun Rudrapal, Johra Khan, Raghu Ram Achar, Ekaterina Silina, Natalia Manturova, Victor Stupin

    Published 2025-01-01
    “…The ligands with the highest binding affinities were identified, and their pharmacokinetic profiles were analyzed using ADMET analysis. The results indicate that GMP synthase exhibited the highest binding affinity with Cannabistilbene I (−9.1 kcal/mol), suggesting hydrophobic solid interactions and multiple hydrogen bonds. …”
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  6. 6766

    CADD based designing and biological evaluation of novel triazole based thiazolidinedione coumarin hybrids as antidiabetic agent by Anchal Sharma, Anmol Narang, Nitish Kumar, Rupali Rana, Megha, Pooja, Muskan Dhir, Harmandeep Kaur Gulati, Jyoti, Aanchal Khanna, Jatinder Vir Singh, Sukhraj Kaur, Preet Mohinder Singh Bedi

    Published 2025-02-01
    “…Pharmacokinetic properties were evaluated through drug-likeness and ADMET studies. Additionally, density functional theory (DFT) analyses were performed to assess the stability and reactivity of potential diabetes mellitus drug candidates. …”
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  7. 6767
  8. 6768

    Does Adiponectin Act as an Antiangiogenic Factor in B-Cell Chronic Lymphocytic Leukemia? by Stefano Molica, Giovanna Digiesi, Angelo Vacca, Rosanna Mirabelli, Katia Todoerti, Caterina Battaglia, Fortunato Morabito, Antonino Neri, Domenico Ribatti

    Published 2009-01-01
    “…In this study, we assessed serum levels of adiponectin in 69 patients with Binet stage A B-CLL, and these values were retrospectively correlated with bone marrow (BM) microvessel area and serum levels of vascular endothelial growth factor (VEGF), fibroblast growth factor-2 (FGF-2), angiogenin, PECAM-1 (CD31), matrix metalloproteinase-9 (MMP-9), interleukin-8 (IL-8), syndecan-1, and the percentage of CD38+ or ZAP-70+ CLL cells. …”
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  9. 6769

    Novel Antibacterial 4-Piperazinylquinoline Hybrid Derivatives Against <i>Staphylococcus aureus</i>: Design, Synthesis, and In Vitro and In Silico Insights by Gabriele La Monica, Annamaria Gallo, Alessia Bono, Federica Alamia, Antonino Lauria, Rosa Alduina, Annamaria Martorana

    Published 2024-12-01
    “…Initial in silico evaluations were conducted on the designed compounds, highlighting favorable ADMET and drug-likeness properties, which were synthesized through a multistep strategy, isolated, and fully characterized. …”
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  10. 6770

    Exploring the potential of some natural indoles as antiviral agents: quantum chemical analysis, inverse molecular docking, and affinity calculations by Amany Belal, Aly Abdou, Samar F. Miski, Mohamed A. M. Ali, Heba I. Ghamry, Ahmad J. Obaidullah, Ahmad J. Obaidullah, Mohamed Y. Zaky, Ahmed H. E. Hassan, Ahmed H. E. Hassan, Eun Joo Roh, Eun Joo Roh, Ahmed A. Al-Karmalawy, Ahmed A. Al-Karmalawy, Mona H. Ibrahim

    Published 2025-01-01
    “…We employed molecular docking, ADMET analysis, and computational techniques [frontier molecular orbital (FMO), natural bond orbital (NBO), and density functional theory (DFT)] to evaluate these compounds” potential as multi-target antiviral agents against HIV and HCV proteins.…”
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  11. 6771

    Repurposing brucine as a chemopreventive agent in mammary gland carcinoma: Regulating lactate transport through MCT-4 by Asma Khatoon Zaidi, Anurag Kumar, Rohit Kumar, Jyoti Singh, Sneha Yadav, Archana Bharti Sonkar, Dharmendra Kumar, Neeraj Kumar Shrivastava, Mohd Nazam Ansari, Abdulaziz S. Saeedan, Gaurav Kaithwas

    Published 2025-06-01
    “…After in-depth analysis, 900 molecules were shortlisted based on Lipinski's rule, optimal molecular weight, binding energy, hydrogen bonding, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties that render them viable MCT-4 inhibitors. …”
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  12. 6772

    “I can see a lady with a curly brown hair” - A Corpus-Based Investigation of Article Use in the Language of Young Norwegian EFL Learners by Sofie Larsen, Kristian A. Rusten

    Published 2021-12-01
    “…Korrekt bruk av artikler på engelsk har blitt løftet frem som et problemområde for norske elever av blant annet Bækken (2006), men likevel finnes det svært lite kvantitativ forskning på hvordan norske elever presterer i engelsk. …”
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  13. 6773

    CADD-based discovery of novel oligomeric modulators of PKM2 with antitumor activity in aggressive human glioblastoma models by Maia Cabrera, Romina Armando, Ian Czarnowski, Patricio Chinestrad, Ramiro Blanco, Alejandra Zinni, Daniel Gómez, Diego L. Mengual Gómez, Pablo Lorenzano Menna

    Published 2025-02-01
    “…These effects were directly linked to their inhibition of PKM2 enzymatic activity, validating the proposed mechanism of action in their rational design. ADMET studies further highlighted their strong potential as lead PKM2 inhibitors for GBM treatment.Molecular dynamics (MD) simulations and post-MD analyses, including Dynamic Cross-Correlation Maps (DCCM), Probability Density Function (PDF), and Free Energy Landscape (FEL), confirmed the stability of the protein-ligand interactions and highlighted critical residues at the dimer-dimer interface. …”
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  14. 6774

    Artificial intelligence-enabled discovery of a RIPK3 inhibitor with neuroprotective effects in an acute glaucoma mouse model by Xing Tu, Zixing Zou, Jiahui Li, Simiao Zeng, Zhengchao Luo, Gen Li, Yuanxu Gao, Kang Zhang, Jing Ni

    Published 2025-01-01
    “…Subsequently, these target candidates were validated using molecular simulations (molecular docking, absorption, distribution, metabolism, excretion, and toxicity [ADMET] prediction, and molecular dynamics simulations) and biological experiments (Western blotting and fluorescence staining) in vitro and in vivo. …”
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  15. 6775

    Prediction of potential drug targets and key inhibitors (ZINC67974679, ZINC67982856, and ZINC05668040) against Rickettsia felis using integrated computational approaches by Sudais Rahman, Hsien Liu, Mohibuallah Shah, Mashal M. Almutairi, Iram Liaqat, Tetsuya Tanaka, Chien-Chin Chen, Chien-Chin Chen, Chien-Chin Chen, Chien-Chin Chen, Abdulaziz Alouffi, Abid Ali

    Published 2025-01-01
    “…Absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling confirmed that most compounds met the preferred pharmacokinetic properties, except for ZINC67895371 and ZINC67847806, which exhibited positive ames test results, and ZINC05670149, ZINC67895371, and ZINC67847806, showed hepatotoxicity. …”
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  16. 6776

    Bis(7)-harmine derivatives as potential multi-target anti-Alzheimer agents by Hongtao Du, Hongtao Du, Hongtao Du, Fang Ma, Fang Ma, Yuanyuan Cao, Miaoyan Bai, Xinyi Gao, Ziyi Yang, Yang Xu, Yan Yan, Yan Yan

    Published 2025-01-01
    “…Furthermore, predicted ADMET results suggested that 6d, 8c, and 8d possessed favorable pharmacokinetic properties and demonstrated low toxicity levels. …”
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  17. 6777

    Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives by Basma T. Abd-Elhalim, Ghada G. El-Bana, Ahmed F. El-Sayed, Ghada E. Abdel-Ghani

    Published 2025-02-01
    “…Additionally, the computational ADMET “Absorption–distribution–metabolism–excretion–toxicity” analysis of these compounds revealed adherence to Lipinski’s rules, indicating favorable physicochemical characteristics. …”
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  18. 6778

    Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations by Imad Ed-Dahmani, Mohamed El Fadili, Ghizlane Nouioura, Fahd Kandsi, Yassine El Atki, Hatem A. Abuelizz, Raffaele Conte, Fatima Zahra Lafdil, Abdeslam Taleb, Abdelfattah Abdellaoui, Mustapha Taleb

    Published 2025-01-01
    “…The predicted pharmacokinetic characteristics of absorption, distribution, metabolism, excretion, and toxicity (ADMET) attest to the well-absorbed nature of the isolated compounds, with human intestinal absorption (HIA) varying from 42% for arbutin (M3) to 100% for ursolic acid (M4).ConclusionIn conclusion, the leaves of Ferula communis are a good source of natural antioxidants and phenolic compounds. …”
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  19. 6779

    Mycochemistry, antioxidant, anticancer activity, and molecular docking of compounds of F12 of ethyl acetate extract of Astraeus asiaticus with BcL2 and Caspase 3 by Swapan Kumar Ghosh, Koushik Pandey, Madhuparna Ghosh, Pradip Kumar Sur

    Published 2025-02-01
    “…The chemical properties of all six compounds were screened by SwissADME and pkCSM and AdmetSAR predictors. Out of them Hexadecanoic acid, 9,12-Octadecadienoic acid and 3,4,5,6 Tetramethyloctane, exhibited suitable properties for drug -preparation and they showed anticancer activity and antioxidant activity as per NIST data base and library search. …”
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  20. 6780

    Molecular docking and molecular dynamics simulation studies of inhibitor candidates against Anopheles gambiae 3-hydroxykynurenine transaminase and implications on vector control by Eunice O. Adedeji, Olubanke O. Ogunlana, Gbolahan O. Oduselu, Rainer Koenig, Ezekiel Adebiyi, Opeyemi S. Soremekun, Segun Fatumo

    Published 2025-01-01
    “…The top three identified hits were subjected to 300 ns molecular dynamics simulation using AMBER 18 and ADMET analysis using SWISSADME predictor and ADMETSAR. …”
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