BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

147 related articles for article (PubMed ID: 38095360)

  • 1. Identification of new small molecule allosteric SHP2 inhibitor through pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation studies, synthesis and
    Mitra R; Kumar S; Ayyannan SR
    J Biomol Struct Dyn; 2023 Dec; ():1-20. PubMed ID: 38095360
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of new small molecule monoamine oxidase-B inhibitors through pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation studies.
    Kumar S; Ayyannan SR
    J Biomol Struct Dyn; 2023; 41(14):6789-6810. PubMed ID: 35983603
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Discovery of a novel SHP2 allosteric inhibitor using virtual screening, FMO calculation, and molecular dynamic simulation.
    Yuan Z; Zhang M; Chang L; Chen X; Ruan S; Shi S; Zhang Y; Zhu L; Li H; Li S
    J Mol Model; 2024 Apr; 30(5):131. PubMed ID: 38613643
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics.
    Wang RR; Liu WS; Zhou L; Ma Y; Wang RL
    J Biomol Struct Dyn; 2020 Mar; 38(5):1525-1538. PubMed ID: 31043123
    [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. Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics.
    Jin WY; Ma Y; Li WY; Li HL; Wang RL
    Comput Biol Chem; 2018 Apr; 73():179-188. PubMed ID: 29494926
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors.
    Ouassaf M; Daoui O; Alam S; Elkhattabi S; Belaidi S; Chtita S
    J Biomol Struct Dyn; 2023; 41(16):7712-7724. PubMed ID: 36106982
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach.
    Shanmugam V; Muthukrishnan S
    J Biomol Struct Dyn; 2023; 41(23):14524-14539. PubMed ID: 36841551
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer.
    Mohan A; Krishnamoorthy S; Sabanayagam R; Schwenk G; Feng E; Ji HF; Muthusami S
    Eur J Pharmacol; 2023 Oct; 957():175961. PubMed ID: 37549730
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT.
    Matore BW; Roy PP; Singh J
    J Biomol Struct Dyn; 2023; 41(22):13056-13077. PubMed ID: 36775656
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Pharmacophore-based virtual screening of ZINC database, molecular modeling and designing new derivatives as potential HDAC6 inhibitors.
    Poonia P; Sharma M; Jha P; Chopra M
    Mol Divers; 2023 Oct; 27(5):2053-2071. PubMed ID: 36214962
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Discovery of potential inhibitors for stat3: ligand based 3D pharmacophore, virtual screening, molecular docking, dynamic studies and
    Lakshmanan K; T K P; K Pai SR; Rajagopal K; Byran G
    J Biomol Struct Dyn; 2022; 40(21):11320-11338. PubMed ID: 34463213
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations.
    Jama M; Ahmed M; Jutla A; Wiethan C; Kumar J; Moon TC; West F; Overduin M; Barakat KH
    Comput Biol Med; 2023 Jan; 152():106442. PubMed ID: 36566625
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Pharmacophore-based virtual screening and
    Roney M; Huq AKMM; Issahaku AR; Soliman MES; Hossain MS; Mustafa AH; Islam MA; Dubey A; Tufail A; Mohd Aluwi MFF; Tajuddin SN
    J Biomol Struct Dyn; 2023; 41(21):12186-12203. PubMed ID: 36645141
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Identification of Four New Chemical Series of Small Drug-Like Natural Products as Potential Neuropilin-1 Inhibitors by Structure-Based Virtual Screening: Pharmacophore-Based Molecular Docking and Dynamics Simulation.
    Sabki A; Khelifi L; Kameli A; Baali S
    Chem Biodivers; 2023 Mar; 20(3):e202200933. PubMed ID: 36799050
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M
    Elseginy SA
    J Biomol Struct Dyn; 2022; 40(24):13658-13674. PubMed ID: 34676801
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modelling.
    Kumar A; Rai S; Rathi E; Agarwal P; Kini SG
    J Biomol Struct Dyn; 2021 Mar; 39(4):1155-1173. PubMed ID: 32037974
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.