BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

438 related articles for article (PubMed ID: 32476576)

  • 1. Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies.
    Gupta S; Singh AK; Kushwaha PP; Prajapati KS; Shuaib M; Senapati S; Kumar S
    J Biomol Struct Dyn; 2021 Aug; 39(12):4334-4345. PubMed ID: 32476576
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.
    Razzaghi-Asl N; Ebadi A; Shahabipour S; Gholamin D
    J Biomol Struct Dyn; 2021 Oct; 39(17):6633-6648. PubMed ID: 32705953
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target.
    Kundu D; Selvaraj C; Singh SK; Dubey VK
    J Biomol Struct Dyn; 2021 Jun; 39(9):3428-3434. PubMed ID: 32362243
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an
    Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
    J Biomol Struct Dyn; 2021 Aug; 39(12):4362-4374. PubMed ID: 32568613
    [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. Identification of potent COVID-19 main protease inhibitors by loading of favipiravir on Mg
    Al-Shuaeeb RAA; Abd El-Mageed HR; Ahmed SA; Mohamed HS; Hamza ZS; Rafi MO; Rahman MS
    J Biomol Struct Dyn; 2023; 41(21):11437-11449. PubMed ID: 36591698
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Identification of polyphenols from
    Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
    J Biomol Struct Dyn; 2021 Oct; 39(17):6747-6760. PubMed ID: 32762411
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Biflavonoids from
    Lokhande K; Nawani N; K Venkateswara S; Pawar S
    J Biomol Struct Dyn; 2022 Jul; 40(10):4376-4388. PubMed ID: 33300454
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods.
    Sharma P; Joshi T; Mathpal S; Joshi T; Pundir H; Chandra S; Tamta S
    J Biomol Struct Dyn; 2022 Apr; 40(6):2757-2768. PubMed ID: 33143552
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and binding free energy calculation.
    Prajapati J; Patel R; Goswami D; Saraf M; Rawal RM
    Comput Biol Med; 2021 Aug; 135():104568. PubMed ID: 34174757
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Insight into crystal structures and identification of potential styrylthieno[2,3-
    El Bakri Y; Ahmad B; Saravanan K; Ahmad I; Bakhite EA; Younis O; Al-Waleedy SAH; Ibrahim OF; Nafady A; Mague JT; Mohamed SK
    J Biomol Struct Dyn; 2024 May; 42(8):4325-4343. PubMed ID: 37318002
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery.
    Ray AK; Sen Gupta PS; Panda SK; Biswal S; Bhattacharya U; Rana MK
    Comput Biol Med; 2022 Mar; 142():105183. PubMed ID: 34986429
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Investigation of Iminosugars as Antiviral Agents against SARS-CoV-2 Main Protease: Inhibitor Design and Optimization, Molecular Docking, and Molecular Dynamics Studies to Explore Potential Inhibitory Effect of 1-Deoxynojirmycin Series.
    Miglani V; Sharma P; Kumar Narula A
    Curr Comput Aided Drug Des; 2023 Aug; ():. PubMed ID: 37612857
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease.
    Garg A; Goel N; Abhinav N; Varma T; Achari A; Bhattacharjee P; Kamal IM; Chakrabarti S; Ravichandiran V; Reddy AM; Gupta S; Jaisankar P
    J Biomol Struct Dyn; 2023 Mar; 41(5):2033-2045. PubMed ID: 35043750
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Large scale peptide screening against main protease of SARS CoV-2.
    Uddin MJ; Akhter H; Chowdhury U; Mawah J; Karim ST; Jomel M; Islam MS; Islam MR; Onin LAB; Ali MA; Efaz FM; Halim MA
    J Comput Chem; 2023 Mar; 44(8):887-901. PubMed ID: 36478400
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.
    Varadharajan V; Arumugam GS; Shanmugam S
    J Biomol Struct Dyn; 2022 Oct; 40(17):7852-7867. PubMed ID: 33764269
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2.
    Shode FO; Idowu ASK; Uhomoibhi OJ; Sabiu S
    J Biomol Struct Dyn; 2022 Sep; 40(14):6587-6602. PubMed ID: 33590806
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study.
    Das S; Sarmah S; Lyndem S; Singha Roy A
    J Biomol Struct Dyn; 2021 Jun; 39(9):3347-3357. PubMed ID: 32362245
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 22.