BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

120 related articles for article (PubMed ID: 34320905)

  • 1. One microsecond MD simulations of the SARS-CoV-2 main protease and hydroxychloroquine complex reveal the intricate nature of binding.
    Kumar P; Bhardwaj T; Kumar A; Garg N; Giri R
    J Biomol Struct Dyn; 2022; 40(21):10763-10770. PubMed ID: 34320905
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Understanding the binding mechanism for potential inhibition of SARS-CoV-2 Mpro and exploring the modes of ACE2 inhibition by hydroxychloroquine.
    Choudhury M; Dhanabalan AK; Goswami N
    J Cell Biochem; 2022 Feb; 123(2):347-358. PubMed ID: 34741481
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Depicting the inhibitory potential of polyphenols from
    Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
    J Biomol Struct Dyn; 2022 Jun; 40(9):4110-4121. PubMed ID: 33292085
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study.
    Reyaz S; Tasneem A; Rai GP; Bairagya HR
    J Mol Graph Model; 2021 Dec; 109():108021. PubMed ID: 34537554
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Some Flavolignans as Potent Sars-Cov-2 Inhibitors
    Cetin A
    Curr Comput Aided Drug Des; 2022; 18(5):337-346. PubMed ID: 35975852
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations.
    Vishvakarma VK; Singh MB; Jain P; Kumari K; Singh P
    Amino Acids; 2022 Feb; 54(2):205-213. PubMed ID: 34807314
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Targeting allosteric pockets of SARS-CoV-2 main protease M
    Bhat ZA; Chitara D; Iqbal J; Sanjeev BS; Madhumalar A
    J Biomol Struct Dyn; 2022 Sep; 40(14):6603-6618. PubMed ID: 33645457
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2.
    Patel D; Athar M; Jha PC
    J Biomol Struct Dyn; 2022 Apr; 40(7):3071-3081. PubMed ID: 33200683
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS-CoV-2.
    Prasanth DSNBK; Murahari M; Chandramohan V; Guntupalli C; Atmakuri LR
    J Biomol Struct Dyn; 2022; 40(22):11822-11836. PubMed ID: 34396938
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation.
    Gogoi B; Chowdhury P; Goswami N; Gogoi N; Naiya T; Chetia P; Mahanta S; Chetia D; Tanti B; Borah P; Handique PJ
    Mol Divers; 2021 Aug; 25(3):1963-1977. PubMed ID: 33856591
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis.
    Kumar N; Awasthi A; Kumari A; Sood D; Jain P; Singh T; Sharma N; Grover A; Chandra R
    J Biomol Struct Dyn; 2022 Jan; 40(1):101-116. PubMed ID: 32815796
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Computational study on the affinity of potential drugs to SARS-CoV-2 main protease.
    Martín V; Sanz-Novo M; León I; Redondo P; Largo A; Barrientos C
    J Phys Condens Matter; 2022 May; 34(29):. PubMed ID: 35504274
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of
    Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
    J Biomol Struct Dyn; 2022 Apr; 40(6):2647-2662. PubMed ID: 33140695
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease.
    Kumar N; Sood D; van der Spek PJ; Sharma HS; Chandra R
    J Proteome Res; 2020 Nov; 19(11):4678-4689. PubMed ID: 32786685
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 6.