BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

156 related articles for article (PubMed ID: 37182359)

  • 21. Ligand-based 3-D pharmacophore generation and molecular docking of mTOR kinase inhibitors.
    Tanneeru K; Guruprasad L
    J Mol Model; 2012 Apr; 18(4):1611-24. PubMed ID: 21805127
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations.
    Zhang Y; Zhang TJ; Tu S; Zhang ZH; Meng FH
    Molecules; 2020 Sep; 25(18):. PubMed ID: 32911607
    [TBL] [Abstract][Full Text] [Related]  

  • 24. 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]  

  • 25. 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]  

  • 26. Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation.
    Hou J; Zou Q; Wang Y; Gao Q; Yao W; Yao Q; Zhang J
    J Biomol Struct Dyn; 2019 Aug; 37(12):3135-3149. PubMed ID: 30079817
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Discovery of potential Aurora-A kinase inhibitors by 3D QSAR pharmacophore modeling, virtual screening, docking, and MD simulation studies.
    Swamy P M G; Abbas N; Dhiwar PS; Singh E; Ghara A; Das A
    J Biomol Struct Dyn; 2023 Jan; 41(1):125-146. PubMed ID: 34809538
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
    Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
    Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. Design and development of novel potential inhibitors of the human USP21 enzyme using a pharmacophore-based virtual screening technique.
    Roy A; Luharuka S; Paul I; Ray S
    J Mol Recognit; 2023 Jul; 36(7):e3023. PubMed ID: 37096811
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
    Jethwa M; Gangopadhyay A; Saha A
    J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. 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]  

  • 34. Identification of potential inhibitors for HCV NS5b of genotype 4a by combining dynamic simulation, protein-ligand interaction fingerprint, 3D pharmacophore, docking and 3D QSAR.
    El-Hassab MAE; El-Bastawissy EE; El-Moselhy TF
    J Biomol Struct Dyn; 2020 Sep; 38(15):4521-4535. PubMed ID: 31647392
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
    Gupta CL; Babu Khan M; Ampasala DR; Akhtar S; Dwivedi UN; Bajpai P
    J Biomol Struct Dyn; 2019 Nov; 37(18):4721-4736. PubMed ID: 30661449
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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]  

  • 37. 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]  

  • 38. Rational approach to identify newer caspase-1 inhibitors using pharmacophore based virtual screening, docking and molecular dynamic simulation studies.
    Patel S; Modi P; Chhabria M
    J Mol Graph Model; 2018 May; 81():106-115. PubMed ID: 29549805
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
    Marondedze EF; Govender KK; Govender PP
    J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Multiple receptor-ligand based pharmacophore modeling and molecular docking to screen the selective inhibitors of matrix metalloproteinase-9 from natural products.
    Gao Q; Wang Y; Hou J; Yao Q; Zhang J
    J Comput Aided Mol Des; 2017 Jul; 31(7):625-641. PubMed ID: 28623487
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.