BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

227 related articles for article (PubMed ID: 34785822)

  • 1. Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)-Molecular dynamics, molecular mechanics, and density functional theory investigations.
    Adelusi TI; Oyedele AK; Monday OE; Boyenle ID; Idris MO; Ogunlana AT; Ayoola AM; Fatoki JO; Kolawole OE; David KB; Olayemi AA
    J Mol Struct; 2022 Feb; 1250():131879. PubMed ID: 34785822
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations.
    Tumskiy RS; Tumskaia AV; Klochkova IN; Richardson RJ
    Comput Biol Med; 2023 Feb; 153():106449. PubMed ID: 36586228
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro.
    Bharadwaj S; Dubey A; Yadava U; Mishra SK; Kang SG; Dwivedi VD
    Brief Bioinform; 2021 Mar; 22(2):1361-1377. PubMed ID: 33406222
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. 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]  

  • 9. Identification of alkaloids from
    Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
    J Mol Struct; 2021 Apr; 1229():129489. PubMed ID: 33100380
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19.
    Muhammad S; Maqbool MF; Al-Sehemi AG; Iqbal A; Khan M; Ullah S; Khan MT
    Braz J Biol; 2021; 83():e247604. PubMed ID: 34495156
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Phytoconstituents from ten natural herbs as potent inhibitors of main protease enzyme of SARS-COV-2:
    Kumar N; Singh A; Gulati HK; Bhagat K; Kaur K; Kaur J; Dudhal S; Duggal A; Gulati P; Singh H; Singh JV; Bedi PMS
    Phytomed Plus; 2021 Nov; 1(4):100083. PubMed ID: 35403086
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Consensus docking and MM-PBSA computations identify putative furin protease inhibitors for developing potential therapeutics against COVID-19.
    Dankwa B; Broni E; Enninful KS; Kwofie SK; Wilson MD
    Struct Chem; 2022; 33(6):2221-2241. PubMed ID: 36118173
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of a novel inhibitor of SARS-CoV-2 3CL-PRO through virtual screening and molecular dynamics simulation.
    Bepari AK; Reza HM
    PeerJ; 2021; 9():e11261. PubMed ID: 33954055
    [TBL] [Abstract][Full Text] [Related]  

  • 15. In silico studies on stilbenolignan analogues as SARS-CoV-2 Mpro inhibitors.
    Cetin A
    Chem Phys Lett; 2021 May; 771():138563. PubMed ID: 33776065
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.
    Rudrapal M; Celik I; Chinnam S; Azam Ansari M; Khan J; Alghamdi S; Almehmadi M; Zothantluanga JH; Khairnar SJ
    Saudi J Biol Sci; 2022 May; 29(5):3456-3465. PubMed ID: 35233172
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro.
    Ngo ST; Tam NM; Pham MQ; Nguyen TH
    J Chem Inf Model; 2021 May; 61(5):2302-2312. PubMed ID: 33829781
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation.
    da Rocha JAP; da Costa RA; da Costa ADSS; da Rocha ECM; Gomes AJB; Machado AK; Fagan SB; Brasil DDSB; Lima E Lima AH
    Front Chem; 2024; 12():1336001. PubMed ID: 38456183
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19.
    Joshi T; Sharma P; Joshi T; Pundir H; Mathpal S; Chandra S
    Mol Divers; 2021 Aug; 25(3):1665-1677. PubMed ID: 32602074
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Potential inhibitory properties of structurally modified quercetin/isohamnetin glucosides against SARS-CoV-2 Mpro; molecular docking and dynamics simulation strategies.
    Adegbola PI; Fadahunsi OS; Ogunjinmi OE; Adegbola AE; Ojeniyi FD; Adesanya A; Olagoke E; Adisa AD; Ehigie AF; Adetutu A; Semire B
    Inform Med Unlocked; 2023; 37():101167. PubMed ID: 36686560
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.