BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

199 related articles for article (PubMed ID: 33671607)

  • 1. Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation.
    Halim SA; Sikandari AG; Khan A; Wadood A; Fatmi MQ; Csuk R; Al-Harrasi A
    Biomolecules; 2021 Feb; 11(2):. PubMed ID: 33671607
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models.
    Zaka M; Abbasi BH; Durdagi S
    J Biomol Struct Dyn; 2019 Jun; 37(9):2464-2476. PubMed ID: 30047845
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation.
    Qaiser H; Saeed M; Nerukh D; Ul-Haq Z
    J Biomol Struct Dyn; 2021 Oct; 39(16):5920-5939. PubMed ID: 32705954
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Identification of novel inhibitors for TNFα, TNFR1 and TNFα-TNFR1 complex using pharmacophore-based approaches.
    Saddala MS; Huang H
    J Transl Med; 2019 Jul; 17(1):215. PubMed ID: 31266509
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipeline.
    Zaka M; Abbasi BH; Durdagi S
    J Mol Graph Model; 2018 Oct; 85():111-121. PubMed ID: 30149308
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
    Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
    Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
    Melagraki G; Ntougkos E; Rinotas V; Papaneophytou C; Leonis G; Mavromoustakos T; Kontopidis G; Douni E; Afantitis A; Kollias G
    PLoS Comput Biol; 2017 Apr; 13(4):e1005372. PubMed ID: 28426652
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
    Mishra V; Pathak C
    J Biomol Struct Dyn; 2019 May; 37(8):1968-1991. PubMed ID: 29842849
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay.
    Chen S; Feng Z; Wang Y; Ma S; Hu Z; Yang P; Chai Y; Xie X
    J Chem Inf Model; 2017 May; 57(5):1101-1111. PubMed ID: 28422491
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
    Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
    J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Energy-Based Pharmacophore and Three-Dimensional Quantitative Structure--Activity Relationship (3D-QSAR) Modeling Combined with Virtual Screening To Identify Novel Small-Molecule Inhibitors of Silent Mating-Type Information Regulation 2 Homologue 1 (SIRT1).
    Pulla VK; Sriram DS; Viswanadha S; Sriram D; Yogeeswari P
    J Chem Inf Model; 2016 Jan; 56(1):173-87. PubMed ID: 26636371
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Broadening the horizon: Integrative pharmacophore-based and cheminformatics screening of novel chemical modulators of mitochondria ATP synthase towards interventive Alzheimer's disease therapy.
    Emmanuel IA; Olotu F; Agoni C; Soliman MES
    Med Hypotheses; 2019 Sep; 130():109277. PubMed ID: 31383337
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.
    Ekhteiari Salmas R; Unlu A; Bektaş M; Yurtsever M; Mestanoglu M; Durdagi S
    J Biomol Struct Dyn; 2017 Jul; 35(9):1899-1915. PubMed ID: 27315035
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
    Jana S; Singh SK
    J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An Innovative High-Throughput Screening Approach for Discovery of Small Molecules That Inhibit TNF Receptors.
    Lo CH; Vunnam N; Lewis AK; Chiu TL; Brummel BE; Schaaf TM; Grant BD; Bawaskar P; Thomas DD; Sachs JN
    SLAS Discov; 2017 Sep; 22(8):950-961. PubMed ID: 28530838
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Integrating pharmacophore mapping, virtual screening, density functional theory, molecular simulation towards the discovery of novel apolipoprotein (apoE ε4) inhibitors.
    Johari S; Sharma A; Sinha S; Das A
    Comput Biol Chem; 2019 Apr; 79():83-90. PubMed ID: 30743160
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors.
    Rathi E; Kumar A; Kini SG
    J Recept Signal Transduct Res; 2019; 39(5-6):415-433. PubMed ID: 31755336
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Discovering novel inhibitors of P2Y
    Halim SA; Waqas M; Asim A; Khan M; Khan A; Al-Harrasi A
    Comput Biol Med; 2022 Aug; 147():105743. PubMed ID: 35772327
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.