BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

308 related articles for article (PubMed ID: 32679006)

  • 1. 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]  

  • 2. Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.
    Arun KG; Sharanya CS; Abhithaj J; Francis D; Sadasivan C
    J Biomol Struct Dyn; 2021 Aug; 39(13):4647-4658. PubMed ID: 32571168
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 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. Optimization Rules for SARS-CoV-2 M
    Stoddard SV; Stoddard SD; Oelkers BK; Fitts K; Whalum K; Whalum K; Hemphill AD; Manikonda J; Martinez LM; Riley EG; Roof CM; Sarwar N; Thomas DM; Ulmer E; Wallace FE; Pandey P; Roy S
    Viruses; 2020 Aug; 12(9):. PubMed ID: 32859008
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multidimensional virtual screening approaches combined with drug repurposing to identify potential covalent inhibitors of SARS-CoV-2 3CL protease.
    Wang Y; Gao Q; Yao P; Yao Q; Zhang J
    J Biomol Struct Dyn; 2023; 41(24):15262-15285. PubMed ID: 36961210
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Targeting SARS-CoV-2 Main Protease: A Computational Drug Repurposing Study.
    Baby K; Maity S; Mehta CH; Suresh A; Nayak UY; Nayak Y
    Arch Med Res; 2021 Jan; 52(1):38-47. PubMed ID: 32962867
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Finding potent inhibitors for COVID-19 main protease (M
    Motiwale M; Yadav NS; Kumar S; Kushwaha T; Choudhir G; Sharma S; Singour PK
    J Biomol Struct Dyn; 2022 Mar; 40(4):1534-1545. PubMed ID: 33030102
    [TBL] [Abstract][Full Text] [Related]  

  • 9.
    Maurya AK; Mishra N
    J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
    [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. Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study.
    Wang J
    J Chem Inf Model; 2020 Jun; 60(6):3277-3286. PubMed ID: 32315171
    [TBL] [Abstract][Full Text] [Related]  

  • 12. In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for direct use in clinical trials.
    Gul S; Ozcan O; Asar S; Okyar A; Barıs I; Kavakli IH
    J Biomol Struct Dyn; 2021 Oct; 39(17):6772-6791. PubMed ID: 32752938
    [TBL] [Abstract][Full Text] [Related]  

  • 13. In-silico drug repurposing for targeting SARS-CoV-2 main protease (M
    Sharma S; Deep S
    J Biomol Struct Dyn; 2022 Apr; 40(7):3003-3010. PubMed ID: 33179568
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking.
    Novak J; Rimac H; Kandagalla S; Pathak P; Naumovich V; Grishina M; Potemkin V
    J Biomol Struct Dyn; 2022; 40(19):9347-9360. PubMed ID: 34018907
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with M
    J A; Francis D; C S S; K G A; C S; Variyar EJ
    J Biomol Struct Dyn; 2022 Jan; 40(1):325-336. PubMed ID: 32873185
    [TBL] [Abstract][Full Text] [Related]  

  • 17. In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme.
    Chatterjee S; Maity A; Chowdhury S; Islam MA; Muttinini RK; Sen D
    J Biomol Struct Dyn; 2021 Sep; 39(14):5290-5303. PubMed ID: 32608329
    [TBL] [Abstract][Full Text] [Related]  

  • 18.
    Chandel V; Tripathi G; Nayar SA; Rathi B; Kumar A; Kumar D
    J Biomol Struct Dyn; 2022; 40(19):8850-8865. PubMed ID: 33939590
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease.
    Batool F; Mughal EU; Zia K; Sadiq A; Naeem N; Javid A; Ul-Haq Z; Saeed M
    J Biomol Struct Dyn; 2022 May; 40(8):3777-3788. PubMed ID: 33251983
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Virtual screening of approved clinic drugs with main protease (3CL
    Wang Q; Zhao Y; Chen X; Hong A
    J Biomol Struct Dyn; 2022 Feb; 40(2):685-695. PubMed ID: 32909528
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.