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 *

119 related articles for article (PubMed ID: 38697440)

  • 1. Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation.
    Bhattacharjee A; Kar S; Ojha PK
    Int J Biol Macromol; 2024 Jun; 269(Pt 1):131784. PubMed ID: 38697440
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
    Iqbal S; Anantha Krishnan D; Gunasekaran K
    J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
    Choubey SK; Jeyaraman J
    J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
    Qiu Y; Zhou L; Hu Y; Bao Y
    J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
    Chaudhari HK; Pahelkar A
    Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations.
    Melge AR; Kumar LG; K P; Nair SV; K M; C GM
    J Biomol Struct Dyn; 2019 Nov; 37(18):4747-4766. PubMed ID: 30580670
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Pharmacophore modeling and virtual screening in search of novel Bruton's tyrosine kinase inhibitors.
    Sharma A; Thelma BK
    J Mol Model; 2019 Jun; 25(7):179. PubMed ID: 31172362
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3).
    Kaur M; Silakari O
    J Biomol Struct Dyn; 2017 Nov; 35(14):3043-3060. PubMed ID: 27678281
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches.
    Nada H; Lee K; Gotina L; Pae AN; Elkamhawy A
    Comput Biol Med; 2022 Mar; 142():105217. PubMed ID: 35032738
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.
    Waldschmidt HV; Bouley R; Kirchhoff PD; Lee P; Tesmer JJG; Larsen SD
    Bioorg Med Chem Lett; 2018 May; 28(9):1507-1515. PubMed ID: 29627263
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Field-based 3D-QSAR for tyrosine protein kinase JAK-2 inhibitors.
    Andole S; Thumma G; Alavala RR; Gangarapu K
    J Biomol Struct Dyn; 2024 Jul; 42(10):5321-5333. PubMed ID: 37409931
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets.
    Shahin R; Swellmeen L; Shaheen O; Aboalhaija N; Habash M
    J Comput Aided Mol Des; 2016 Jan; 30(1):39-68. PubMed ID: 26685860
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles.
    Yu CX; Tan JW; Rullah K; Imran S; Tham CL
    J Biomol Struct Dyn; 2023; 41(22):12978-12996. PubMed ID: 36709457
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification of Pak1 inhibitors using water thermodynamic analysis.
    Biswal J; Jayaprakash P; Suresh Kumar R; Venkatraman G; Poopandi S; Rangasamy R; Jeyaraman J
    J Biomol Struct Dyn; 2020 Jan; 38(1):13-31. PubMed ID: 30661460
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 2D-QSAR study, molecular docking, and molecular dynamics simulation studies of interaction mechanism between inhibitors and transforming growth factor-beta receptor I (ALK5).
    Jiang MN; Zhou XP; Sun DR; Gao H; Zheng QC; Zhang HX; Liang D
    J Biomol Struct Dyn; 2018 Nov; 36(14):3705-3717. PubMed ID: 29064324
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.