These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

173 related articles for article (PubMed ID: 36105464)

  • 21. Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies.
    Berishvili VP; Kuimov AN; Voronkov AE; Radchenko EV; Kumar P; Choonara YE; Pillay V; Kamal A; Palyulin VA
    Molecules; 2020 Jul; 25(14):. PubMed ID: 32664504
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Computational Simulations Identified Two Candidate Inhibitors of Cdk5/p25 to Abrogate Tau-associated Neurological Disorders.
    Zeb A; Son M; Yoon S; Kim JH; Park SJ; Lee KW
    Comput Struct Biotechnol J; 2019; 17():579-590. PubMed ID: 31073393
    [TBL] [Abstract][Full Text] [Related]  

  • 23. p38α MAPK and Type I Inhibitors: Binding Site Analysis and Use of Target Ensembles in Virtual Screening.
    Astolfi A; Iraci N; Sabatini S; Barreca ML; Cecchetti V
    Molecules; 2015 Aug; 20(9):15842-61. PubMed ID: 26334265
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Virtual Screening Based on Machine Learning Explores Mangrove Natural Products as KRAS
    Luo L; Zheng T; Wang Q; Liao Y; Zheng X; Zhong A; Huang Z; Luo H
    Pharmaceuticals (Basel); 2022 May; 15(5):. PubMed ID: 35631410
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Molecular Generation, QSAR, and Molecular Dynamic Simulation Studies for Virtual Screening of DNA Polymerase Theta Inhibitors.
    Qin Z; Liu L; Gao M; Feng W; Huang C; Liu W
    Curr Comput Aided Drug Des; 2024 May; ():. PubMed ID: 38779737
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Machine learning and molecular simulation-based protocols to identify novel potential inhibitors for reverse transcriptase against HIV infections.
    Shahab M; Zheng G; Bin Jardan YA; Bourhia M
    J Biomol Struct Dyn; 2024 Feb; ():1-14. PubMed ID: 38379294
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site.
    Suriya U; Mahalapbutr P; Rungrotmongkol T
    Pharmaceutics; 2022 Jul; 14(7):. PubMed ID: 35890356
    [TBL] [Abstract][Full Text] [Related]  

  • 28. The use of machine learning modeling, virtual screening, molecular docking, and molecular dynamics simulations to identify potential VEGFR2 kinase inhibitors.
    Salimi A; Lim JH; Jang JH; Lee JY
    Sci Rep; 2022 Nov; 12(1):18825. PubMed ID: 36335233
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Identification of potential matrix metalloproteinase-2 inhibitors from natural products through advanced machine learning-based cheminformatics approaches.
    Yang R; Zhao G; Cheng B; Yan B
    Mol Divers; 2023 Jun; 27(3):1053-1066. PubMed ID: 35773549
    [TBL] [Abstract][Full Text] [Related]  

  • 30. In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer.
    Mathpal S; Joshi T; Sharma P; Maiti P; Nand M; Pande V; Chandra S
    3 Biotech; 2024 Jan; 14(1):18. PubMed ID: 38130684
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Dibenzepinones, dibenzoxepines and benzosuberones based p38α MAP kinase inhibitors: Their pharmacophore modelling, 3D-QSAR and docking studies.
    Khan MF; Verma G; Alam P; Akhter M; Bakht MA; Hasan SM; Shaquiquzzaman M; Alam MM
    Comput Biol Med; 2019 Jul; 110():175-185. PubMed ID: 31173941
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Exploring the Natural Compounds in Flavonoids for Their Potential Inhibition of Cancer Therapeutic Target MEK1 Using Computational Methods.
    AlZahrani WM; AlGhamdi SA; Zughaibi TA; Rehan M
    Pharmaceuticals (Basel); 2022 Feb; 15(2):. PubMed ID: 35215307
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products.
    Luo L; Zhong A; Wang Q; Zheng T
    Mar Drugs; 2021 Dec; 20(1):. PubMed ID: 35049884
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Machine learning in computational docking.
    Khamis MA; Gomaa W; Ahmed WF
    Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Identification of Inhibitors against Metastasis Protein "
    Mishra S; Singh S
    Pharmacogn Mag; 2018 Jan; 13(Suppl 4):S742-S748. PubMed ID: 29491627
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Discovery of natural 15-LOX small molecule inhibitors from Chinese herbal medicine using virtual Screening, biological evaluation and molecular dynamics studies.
    Li Y; Zhang Y; Wu X; Gao Y; Guo J; Tian Y; Lin Z; Wang X
    Bioorg Chem; 2021 Oct; 115():105197. PubMed ID: 34426159
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics.
    Jade DD; Pandey R; Kumar R; Gupta D
    J Biomol Struct Dyn; 2022 Mar; 40(4):1702-1718. PubMed ID: 33034255
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Identification of Novel PI3Kδ Selective Inhibitors by SVM-Based Multistage Virtual Screening and Molecular Dynamics Simulations.
    Liang JW; Wang S; Wang MY; Li SL; Li WQ; Meng FH
    Int J Mol Sci; 2019 Nov; 20(23):. PubMed ID: 31795217
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase.
    Shukla R; Shukla H; Sonkar A; Pandey T; Tripathi T
    J Biomol Struct Dyn; 2018 Jun; 36(8):2045-2057. PubMed ID: 28605994
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).
    Mohammad T; Khan FI; Lobb KA; Islam A; Ahmad F; Hassan MI
    J Biomol Struct Dyn; 2019 Apr; 37(7):1813-1829. PubMed ID: 29683402
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.