BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

47 related articles for article (PubMed ID: 31085426)

  • 1. 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]  

  • 2. 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]  

  • 3. Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations.
    Tong JB; Xiao XC; Luo D; Xu HY; Xing YC; Gao P; Liu Y
    Mol Divers; 2024 Apr; 28(2):671-692. PubMed ID: 36773087
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Combined 3D-QSAR, molecular docking and molecular dynamics study on derivatives of peptide epoxyketone and tyropeptin-boronic acid as inhibitors against the β5 subunit of human 20S proteasome.
    Liu J; Zhang H; Xiao Z; Wang F; Wang X; Wang Y
    Int J Mol Sci; 2011; 12(3):1807-35. PubMed ID: 21673924
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies.
    Boutalaka M; El Bahi S; Alaqarbeh M; El Alaouy MA; Koubi Y; Khatabi KE; Maghat H; Bouachrine M; Lakhlifi T
    J Biomol Struct Dyn; 2024 Jul; 42(10):5268-5287. PubMed ID: 37424193
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Studies on [5,6]-Fused Bicyclic Scaffolds Derivatives as Potent Dual B-RafV600E/KDR Inhibitors Using Docking and 3D-QSAR Approaches.
    Liu HC; Tang SZ; Lu S; Ran T; Wang J; Zhang YM; Xu AY; Lu T; Chen YD
    Int J Mol Sci; 2015 Oct; 16(10):24451-74. PubMed ID: 26501259
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. CoMFA, CoMSIA, HQSAR and Molecular Docking Analysis of Ionone-based Chalcone Derivatives as Antiprostate Cancer Activity.
    Sharma R; Dhingra N; Patil S
    Indian J Pharm Sci; 2016; 78(1):54-64. PubMed ID: 27168682
    [TBL] [Abstract][Full Text] [Related]  

  • 9. In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free energy of pyrazolopyrimidine derivatives.
    Faris A; Hadni H; Ibrahim IM; Elhallaoui M
    J Biomol Struct Dyn; 2024 Jun; 42(9):4817-4833. PubMed ID: 37338041
    [TBL] [Abstract][Full Text] [Related]  

  • 10. New molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies.
    Li S; Fan J; Peng C; Chang Y; Guo L; Hou J; Huang M; Wu B; Zheng J; Lin L; Xiao G; Chen W; Liao G; Guo J; Sun P
    Sci Rep; 2017 Sep; 7(1):11525. PubMed ID: 28912450
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular modeling studies of 4,5-dihydro-1H-pyrazolo[4,3-h] quinazoline derivatives as potent CDK2/Cyclin a inhibitors using 3D-QSAR and docking.
    Ai Y; Wang ST; Sun PH; Song FJ
    Int J Mol Sci; 2010 Sep; 11(10):3705-24. PubMed ID: 21152296
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Investigating the Binding Mode of Reversible LSD1 Inhibitors Derived from Stilbene Derivatives by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation.
    Xu Y; He Z; Yang M; Gao Y; Jin L; Wang M; Zheng Y; Lu X; Zhang S; Wang C; Zhao Z; Zhao J; Gao Q; Duan Y
    Molecules; 2019 Dec; 24(24):. PubMed ID: 31817721
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations.
    Habib I; Chohan TA; Chohan TA; Batool F; Khurshid U; Khursheed A; Raza A; Ansari M; Hussain A; Anwar S; Awadh Ali NA; Saleem H
    Comput Biol Chem; 2024 Feb; 108():108003. PubMed ID: 38159453
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Exploration of Novel Xanthine Oxidase Inhibitors Based on 1,6-Dihydropyrimidine-5-Carboxylic Acids by an Integrated in Silico Study.
    Zhai N; Wang C; Wu F; Xiong L; Luo X; Ju X; Liu G
    Int J Mol Sci; 2021 Jul; 22(15):. PubMed ID: 34360886
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 3D-QSAR and Molecular Dynamics Study of Isoxazole Derivatives to Identify the Structural Requirements for Farnesoid X Receptor (FXR) Agonists.
    Yan D; Yang Y; Shen H; Liu Z; Yao K; Liu Q
    Molecules; 2024 Mar; 29(6):. PubMed ID: 38542850
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 3D-QSAR, docking and molecular dynamics simulations of novel Pyrazolo-pyridazinone derivatives as covalent inhibitors of FGFR1: a scientific approach for possible anticancer agents.
    Hamza S; Abid A; Khanum A; Chohan TA; Saleem H; Maqbool Khan K; Khurshid U; Butt J; Anwar S; Alafnan A; Ansari SA; Qayyum A; Raza A; Chohan TA
    J Biomol Struct Dyn; 2024 Mar; 42(5):2242-2256. PubMed ID: 37211823
    [TBL] [Abstract][Full Text] [Related]  

  • 17. CoMFA/CoMSIA/HQSAR and Docking Study of the Binding Mode of Selective Cyclooxygenase (COX-2) Inhibitors.
    Chen H; Li Q; Yao X; Fan B; Yuan S; Panaye A; Doucet JP
    QSAR Comb Sci; 2004 Feb; 23(1):36-55. PubMed ID: 32327948
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1,2,3-triazole based derivatives for designing new acetylcholinesterase inhibitors.
    El Khatabi K; Aanouz I; El-Mernissi R; Singh AK; Ajana MA; Lakhlifi T; Kumar S; Bouachrine M
    Turk J Chem; 2021; 45(3):647-660. PubMed ID: 34385858
    [TBL] [Abstract][Full Text] [Related]  

  • 19. QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking.
    Ding H; Xing F; Zou L; Zhao L
    BMC Chem; 2024 Mar; 18(1):59. PubMed ID: 38555462
    [TBL] [Abstract][Full Text] [Related]  

  • 20. QSAR, molecular docking, design, and pharmacokinetic analysis of 2-(4-fluorophenyl) imidazol-5-ones as anti-breast cancer drug compounds against MCF-7 cell line.
    Lawal HA; Uzairu A; Uba S
    J Bioenerg Biomembr; 2020 Dec; 52(6):475-494. PubMed ID: 33247393
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 3.