BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

292 related articles for article (PubMed ID: 36234844)

  • 1. Design of Novel IRAK4 Inhibitors Using Molecular Docking, Dynamics Simulation and 3D-QSAR Studies.
    Bhujbal SP; He W; Hah JM
    Molecules; 2022 Sep; 27(19):. PubMed ID: 36234844
    [TBL] [Abstract][Full Text] [Related]  

  • 2.
    Shirvani P; Fassihi A
    J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular modeling studies of pyrrolo[2,3-d]pyrimidin-4-amine derivatives as JAK1 inhibitors based on 3D-QSAR, molecular docking, molecular dynamics (MD) and MM-PBSA calculations.
    Keretsu S; Bhujbal SP; Cho SJ
    J Biomol Struct Dyn; 2021 Feb; 39(3):753-765. PubMed ID: 31916502
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors.
    Balasubramanian PK; Balupuri A; Kang HY; Cho SJ
    BMC Syst Biol; 2017 Mar; 11(Suppl 2):6. PubMed ID: 28361711
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular Modeling Studies of
    Ghosh S; Keretsu S; Cho SJ
    Int J Mol Sci; 2021 Nov; 22(22):. PubMed ID: 34830393
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation.
    Balasubramanian PK; Balupuri A; Bhujbal SP; Cho SJ
    J Biomol Struct Dyn; 2019 May; 37(8):2165-2178. PubMed ID: 30044205
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular Modeling Study of c-KIT/PDGFRα Dual Inhibitors for the Treatment of Gastrointestinal Stromal Tumors.
    Keretsu S; Ghosh S; Cho SJ
    Int J Mol Sci; 2020 Nov; 21(21):. PubMed ID: 33153146
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Selective interleukin-1 receptor-associated kinase 4 inhibitors for the treatment of autoimmune disorders and lymphoid malignancy.
    Kelly PN; Romero DL; Yang Y; Shaffer AL; Chaudhary D; Robinson S; Miao W; Rui L; Westlin WF; Kapeller R; Staudt LM
    J Exp Med; 2015 Dec; 212(13):2189-201. PubMed ID: 26621451
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Combined 3D-QSAR, molecular docking, molecular dynamics simulation, and binding free energy calculation studies on the 5-hydroxy-2H-pyridazin-3-one derivatives as HCV NS5B polymerase inhibitors.
    Yu H; Fang Y; Lu X; Liu Y; Zhang H
    Chem Biol Drug Des; 2014 Jan; 83(1):89-105. PubMed ID: 23941500
    [TBL] [Abstract][Full Text] [Related]  

  • 10. In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation.
    Gao Y; Wang H; Wang J; Cheng M
    J Biomol Struct Dyn; 2020 Sep; 38(14):4119-4133. PubMed ID: 31556340
    [TBL] [Abstract][Full Text] [Related]  

  • 11. In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation.
    He Q; Han C; Li G; Guo H; Wang Y; Hu Y; Lin Z; Wang Y
    Comput Biol Chem; 2020 Oct; 88():107328. PubMed ID: 32688011
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational Investigations of Coumarin Derivatives as Cyclindependent Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.
    Liu S; Li Y; Wei X; Zhang R; Zhang Y; Guo C
    Curr Comput Aided Drug Des; 2022; 18(5):363-380. PubMed ID: 35980073
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
    Bhide RS; Keon A; Weigelt C; Sack JS; Schmidt RJ; Lin S; Xiao HY; Spergel SH; Kempson J; Pitts WJ; Carman J; Poss MA
    Bioorg Med Chem Lett; 2017 Nov; 27(21):4908-4913. PubMed ID: 28947151
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 3D-QSAR, Virtual Screening, Docking and Design of Dual PI3K/mTOR Inhibitors with Enhanced Antiproliferative Activity.
    Oluić J; Nikolic K; Vucicevic J; Gagic Z; Filipic S; Agbaba D
    Comb Chem High Throughput Screen; 2017 Aug; 20(4):292-303. PubMed ID: 28460621
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular dynamics simulations reveal structural insights into inhibitor binding modes and mechanism of casein kinase II inhibitors.
    Ul-Haq Z; Ashraf S; Bkhaitan MM
    J Biomol Struct Dyn; 2019 Mar; 37(5):1120-1135. PubMed ID: 29527958
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.
    Balasubramanian PK; Balupuri A; Cho SJ
    Arch Pharm Res; 2016 Mar; 39(3):328-39. PubMed ID: 26699616
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties.
    Zhang Y; Chen L; Wang Z; Zhu Y; Jiang H; Xu J; Xiong F
    J Biomol Struct Dyn; 2024 May; 42(8):4196-4213. PubMed ID: 37272892
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Design and synthesis of Imidazo[1,2-b]pyridazine IRAK4 inhibitors for the treatment of mutant MYD88 L265P diffuse large B-cell lymphoma.
    Chen Y; Bai G; Ning Y; Cai S; Zhang T; Song P; Zhou J; Duan W; Ding J; Xie H; Zhang H
    Eur J Med Chem; 2020 Mar; 190():112092. PubMed ID: 32014679
    [TBL] [Abstract][Full Text] [Related]  

  • 19. CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer.
    Chhatbar DM; Chaube UJ; Vyas VK; Bhatt HG
    Comput Biol Chem; 2019 Jun; 80():351-363. PubMed ID: 31085426
    [TBL] [Abstract][Full Text] [Related]  

  • 20. QSAR Study, Molecular Docking and Molecular Dynamic Simulation of Aurora Kinase Inhibitors Derived from Imidazo[4,5-
    Tian YY; Tong JB; Liu Y; Tian Y
    Molecules; 2024 Apr; 29(8):. PubMed ID: 38675594
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.