BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

401 related articles for article (PubMed ID: 32897178)

  • 1. Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease.
    C S; S DK; Ragunathan V; Tiwari P; A S; P BD
    J Biomol Struct Dyn; 2022 Feb; 40(2):585-611. PubMed ID: 32897178
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2.
    Yadav R; Imran M; Dhamija P; Chaurasia DK; Handu S
    J Biomol Struct Dyn; 2021 Oct; 39(17):6617-6632. PubMed ID: 32715956
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (M
    Kapusta K; Kar S; Collins JT; Franklin LM; Kolodziejczyk W; Leszczynski J; Hill GA
    J Biomol Struct Dyn; 2021 Oct; 39(17):6810-6827. PubMed ID: 32795148
    [TBL] [Abstract][Full Text] [Related]  

  • 4.
    Maurya AK; Mishra N
    J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach.
    Ogidigo JO; Iwuchukwu EA; Ibeji CU; Okpalefe O; Soliman MES
    J Biomol Struct Dyn; 2022 Mar; 40(5):2284-2301. PubMed ID: 33103616
    [TBL] [Abstract][Full Text] [Related]  

  • 6. SARS-CoV-2 M
    Bharadwaj S; Azhar EI; Kamal MA; Bajrai LH; Dubey A; Jha K; Yadava U; Kang SG; Dwivedi VD
    J Biomol Struct Dyn; 2022 Apr; 40(6):2769-2784. PubMed ID: 33150855
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus Protease.
    Fadaka AO; Sibuyi NRS; Martin DR; Klein A; Madiehe A; Meyer M
    Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502340
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Design, synthesis, and molecular dynamics simulation studies of quinoline derivatives as protease inhibitors against SARS-CoV-2.
    Singh VK; Chaurasia H; Kumari P; Som A; Mishra R; Srivastava R; Naaz F; Singh A; Singh RK
    J Biomol Struct Dyn; 2022; 40(21):10519-10542. PubMed ID: 34253149
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Insect protease inhibitors; promising inhibitory compounds against SARS-CoV-2 main protease.
    Hemmati SA; Tabein S
    Comput Biol Med; 2022 Mar; 142():105228. PubMed ID: 35051855
    [TBL] [Abstract][Full Text] [Related]  

  • 10. In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
    Choudhary MI; Shaikh M; Tul-Wahab A; Ur-Rahman A
    PLoS One; 2020; 15(7):e0235030. PubMed ID: 32706783
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases.
    Kumar BK; Faheem ; Sekhar KVGC; Ojha R; Prajapati VK; Pai A; Murugesan S
    J Biomol Struct Dyn; 2022 Feb; 40(3):1363-1386. PubMed ID: 32981461
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study.
    Ancy I; Sivanandam M; Kumaradhas P
    J Biomol Struct Dyn; 2021 Sep; 39(15):5368-5375. PubMed ID: 32627689
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: an
    Majumder R; Mandal M
    J Biomol Struct Dyn; 2022 Feb; 40(2):696-711. PubMed ID: 32897138
    [TBL] [Abstract][Full Text] [Related]  

  • 14.
    Ramadhan DSF; Siharis F; Abdurrahman S; Isrul M; Fakih TM
    J Biomol Struct Dyn; 2022; 40(22):11526-11532. PubMed ID: 34338602
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies.
    Abdizadeh R; Hadizadeh F; Abdizadeh T
    J Biomol Struct Dyn; 2023; 41(13):5915-5945. PubMed ID: 35848354
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19.
    Rehman MT; AlAjmi MF; Hussain A
    Curr Pharm Des; 2021; 27(33):3577-3589. PubMed ID: 33200697
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants -
    Shree P; Mishra P; Selvaraj C; Singh SK; Chaube R; Garg N; Tripathi YB
    J Biomol Struct Dyn; 2022 Jan; 40(1):190-203. PubMed ID: 32851919
    [TBL] [Abstract][Full Text] [Related]  

  • 18. An efficient eco-friendly, simple, and green synthesis of some new spiro-N-(4-sulfamoyl-phenyl)-1,3,4-thiadiazole-2-carboxamide derivatives as potential inhibitors of SARS-CoV-2 proteases: drug-likeness, pharmacophore, molecular docking, and DFT exploration.
    El-Saghier AM; Enaili SS; Abdou A; Kadry AM
    Mol Divers; 2024 Feb; 28(1):249-270. PubMed ID: 37946070
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Promising inhibitors against main protease of SARS CoV-2 from medicinal plants:
    Ebenezer O; Shapi M
    Acta Pharm; 2022 Jun; 72(2):159-169. PubMed ID: 36651513
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL
    Koulgi S; Jani V; Uppuladinne M; Sonavane U; Nath AK; Darbari H; Joshi R
    J Biomol Struct Dyn; 2021 Sep; 39(15):5735-5755. PubMed ID: 32679006
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.