BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

122 related articles for article (PubMed ID: 33663346)

  • 1. Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2.
    Namsani S; Pramanik D; Khan MA; Roy S; Singh JK
    J Biomol Struct Dyn; 2022 Sep; 40(15):7002-7017. PubMed ID: 33663346
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies.
    Roy R; Sk MF; Jonniya NA; Poddar S; Kar P
    J Biomol Struct Dyn; 2022 Sep; 40(14):6556-6568. PubMed ID: 33682642
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Binding and inhibitory effect of ravidasvir on 3CL
    Bera K
    J Biomol Struct Dyn; 2022 Oct; 40(16):7303-7310. PubMed ID: 33682639
    [TBL] [Abstract][Full Text] [Related]  

  • 4. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing.
    Kumar Y; Singh H; Patel CN
    J Infect Public Health; 2020 Sep; 13(9):1210-1223. PubMed ID: 32561274
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Evaluation of the effects of chlorhexidine and several flavonoids as antiviral purposes on SARS-CoV-2 main protease: molecular docking, molecular dynamics simulation studies.
    Tatar G; Salmanli M; Dogru Y; Tuzuner T
    J Biomol Struct Dyn; 2022 Oct; 40(17):7656-7665. PubMed ID: 33749547
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors.
    Uniyal A; Mahapatra MK; Tiwari V; Sandhir R; Kumar R
    J Biomol Struct Dyn; 2022 May; 40(8):3609-3625. PubMed ID: 33226303
    [TBL] [Abstract][Full Text] [Related]  

  • 7. On the search for COVID-19 therapeutics: identification of potential SARS-CoV-2 main protease inhibitors by virtual screening, pharmacophore modeling and molecular dynamics.
    Hassan A; Arafa RK
    J Biomol Struct Dyn; 2022 Oct; 40(17):7815-7828. PubMed ID: 33749545
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2.
    Naik SR; Bharadwaj P; Dingelstad N; Kalyaanamoorthy S; Mandal SC; Ganesan A; Chattopadhyay D; Palit P
    J Biomol Struct Dyn; 2022 Sep; 40(15):6921-6938. PubMed ID: 33682632
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach.
    Achilonu I; Iwuchukwu EA; Achilonu OJ; Fernandes MA; Sayed Y
    J Mol Graph Model; 2020 Dec; 101():107730. PubMed ID: 32920239
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 M
    Mohan A; Rendine N; Mohammed MKS; Jeeva A; Ji HF; Talluri VR
    Mol Divers; 2022 Jun; 26(3):1645-1661. PubMed ID: 34480682
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Elucidation of the inhibitory activity of plant-derived SARS-CoV inhibitors and their potential as SARS-CoV-2 inhibitors.
    Bello M; Hasan MK
    J Biomol Struct Dyn; 2022; 40(20):9992-10004. PubMed ID: 34121618
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening.
    Sanachai K; Somboon T; Wilasluck P; Deetanya P; Wolschann P; Langer T; Lee VS; Wangkanont K; Rungrotmongkol T; Hannongbua S
    PLoS One; 2022; 17(6):e0269563. PubMed ID: 35771802
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular docking and simulation studies of natural compounds of
    Mitra D; Verma D; Mahakur B; Kamboj A; Srivastava R; Gupta S; Pandey A; Arora B; Pant K; Panneerselvam P; Ghosh A; Barik DP; Mohapatra PKD
    J Biomol Struct Dyn; 2022 Aug; 40(12):5665-5686. PubMed ID: 33459176
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of potential SARS-CoV-2 M
    Sobhia ME; Ghosh K; Sivangula S; Kumar S; Singh H
    J Biomol Struct Dyn; 2022 Jul; 40(11):5079-5089. PubMed ID: 33413032
    [TBL] [Abstract][Full Text] [Related]  

  • 15.
    Kumar R; Kumar R; Tanwar P
    J Biomol Struct Dyn; 2022 Oct; 40(16):7394-7407. PubMed ID: 33715592
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Impact of dimerization and N3 binding on molecular dynamics of SARS-CoV and SARS-CoV-2 main proteases.
    Tekpinar M; Yildirim A
    J Biomol Struct Dyn; 2022 Sep; 40(14):6243-6254. PubMed ID: 33525993
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers.
    Rocha REO; Chaves EJF; Fischer PHC; Costa LSC; Grillo IB; da Cruz LEG; Guedes FC; da Silveira CH; Scotti MT; Camargo AD; Machado KS; Werhli AV; Ferreira RS; Rocha GB; de Lima LHF
    J Biomol Struct Dyn; 2022; 40(19):9214-9234. PubMed ID: 33970798
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Virtual screening and molecular simulation study of natural products database for lead identification of novel coronavirus main protease inhibitors.
    Tripathi N; Goel B; Bhardwaj N; Sahu B; Kumar H; Jain SK
    J Biomol Struct Dyn; 2022 May; 40(8):3655-3667. PubMed ID: 33213294
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2.
    Abdizadeh R; Hadizadeh F; Abdizadeh T
    Mol Divers; 2022 Apr; 26(2):1053-1076. PubMed ID: 34213728
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.