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87 ta ish

Ish: Identification of Phytochemicals as Promising GSK-3β Inhibitors for Cancer Therapeutic Potential Through Virtual Screening, Molecular Docking, MD Simulation and MM-PBSA Calculation

  1. Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

    Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci +2

    Maqola20096 iqtibos
    ABI

  2. Toward functionalization of ZnO nanotubes and monolayers with 5-aminolevulinic acid drugs as possible nanocarriers for drug delivery: a DFT based molecular dynamic simulation

    Masoumeh Mohammadzaheri, Saeed Jamehbozorgi, Masoud Darvish Ganji +2

    Maqola20235 iqtibos
    ABI

  3. <i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations

    Rashmi Kumari, Rajendra Kumar, Open Source Drug Discovery Consortium +1

    Maqola20144 iqtibos
    ABI

  4. Green synthesis of silver nanoparticles (AgNPs) by Pistacia terebinthus extract: Comprehensive evaluation of antimicrobial, antioxidant and anticancer effects

    Mohsen Naghmachi, Abdoshakoor Raissi, Payam Baziyar +3

    Maqola20223 iqtibos
    ABI

  5. Understanding delivery and adsorption of Flutamide drug with ZnONS based on: Dispersion-corrected DFT calculations and MD simulations

    P. Niknam, Saeed Jamehbozorgi, Mahyar Rezvani +1

    Maqola20213 iqtibos
    ABI

  6. Flavonoids in Cancer and Apoptosis

    Mariam Abotaleb, Samson Mathews Samuel, Elizabeth Varghese +4

    Sharh maqola20183 iqtibos
    ABI

  7. MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

    Naveen Michaud‐Agrawal, Elizabeth J. Denning, Thomas B. Woolf +1

    Maqola20113 iqtibos
    ABI

  8. Molecular cloning and expression of glycogen synthase kinase‐3/factor A.

    James R. Woodgett

    Maqola19903 iqtibos
    ABI

  9. EGCG remodels mature α-synuclein and amyloid-β fibrils and reduces cellular toxicity

    Jan Bieschke, Jenny Russ, Ralf P. Friedrich +4

    Maqola20103 iqtibos
    ABI

  10. MolDock:  A New Technique for High-Accuracy Molecular Docking

    René Thomsen, Mikael H. Christensen

    Maqola20062 iqtibos
    ABI

  11. CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methods

    Li Zhang, Haixin Ai, Wen Chen +6

    Maqola20172 iqtibos
    ABI

  12. Glycogen synthase kinase-3 (GSK3): Regulation, actions, and diseases

    Eléonore Beurel, Steven F. Grieco, Richard S. Jope

    Sharh maqola20142 iqtibos
    ABI

  13. Glycogen Synthase Kinase 3 Inactivation Drives T-bet-Mediated Downregulation of Co-receptor PD-1 to Enhance CD8+ Cytolytic T Cell Responses

    Alison Taylor, James A. Harker, Kittiphat Chanthong +3

    Maqola20162 iqtibos
    ABI

  14. Targeting GSK3 and Associated Signaling Pathways Involved in Cancer

    Przemysław Duda, Shaw M. Akula, Stephen L. Abrams +11

    Sharh maqola20202 iqtibos
    ABI

  15. Age-related changes in glycogen synthase kinase 3β (GSK3β) immunoreactivity in the central nervous system of rats

    Soo Joo Lee, Yoon Hee Chung, Kyeung Min Joo +6

    Maqola20062 iqtibos
    ABI

  16. Toward efficient enantioseparation of ibuprofen isomers using chiral BNNTs: Dispersion corrected DFT calculations and DFTB molecular dynamic simulations

    Melahatsadat Rasoolidanesh, Mohammad Astaraki, Mina Mostafavi +2

    Maqola20212 iqtibos
    ABI

  17. In Vitro and In Vivo Activities of Tea Catechins against <i>Helicobacter pylori</i>

    Katsuhiro Mabe, Masami Yamada, Itaro Oguni +1

    Maqola19992 iqtibos
    ABI

  18. Molecular drug targets and therapies for Alzheimer’s disease

    Dev Bukhsh Singh, Manish Gupta, Rajesh K. Kesharwani +3

    Maqola20142 iqtibos
    ABI

  19. Inhibition of green tea catechins against the growth of cancerous human colon and hepatic epithelial cells

    Shinichi Uesato, Yutaka Kitagawa, Masaaki Kamishimoto +3

    Maqola20012 iqtibos
    ABI

  20. Natural potential therapeutic agents of neurodegenerative diseases from the traditional herbal medicine Chinese Dragon׳s Blood

    Ning Li, Zhongjun Ma, Mujie Li +2

    Maqola20142 iqtibos
    ABI

  21. Natural polyphenols inhibit different steps of the process of transthyretin (TTR) amyloid fibril formation

    Nelson Ferreira, Maria João Saraiva, Maria Rosário Almeida

    Maqola20112 iqtibos
    ABI

  22. Antioxidative Activity of Green Tea Treated with Radical Initiator 2,2‘-Azobis(2-amidinopropane) Dihydrochloride

    Takako Yokozawa, Eun Ju Cho, Yukihiko Hara +1

    Maqola20002 iqtibos
    ABI

  23. Variation in aggregation propensities among ALS-associated variants of SOD1: Correlation to human disease

    Mercedes Prudencio, Peter Hart, David Borchelt +1

    Maqola20092 iqtibos
    ABI

  24. Lessons from natural molecules

    Jon Clardy, Christopher T. Walsh

    Sharh maqola20042 iqtibos
    ABI

  25. Structural properties and neuronal toxicity of amyotrophic lateral sclerosis–associated Cu/Zn superoxide dismutase 1 aggregates

    Gen Matsumoto, Aleksandar Stojanović, Carina I. Holmberg +2

    Maqola20052 iqtibos
    ABI