These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

303 related articles for article (PubMed ID: 32795148)

  • 1. Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (M
    Kapusta K; Kar S; Collins JT; Franklin LM; Kolodziejczyk W; Leszczynski J; Hill GA
    J Biomol Struct Dyn; 2021 Oct; 39(17):6810-6827. PubMed ID: 32795148
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease.
    C S; S DK; Ragunathan V; Tiwari P; A S; P BD
    J Biomol Struct Dyn; 2022 Feb; 40(2):585-611. PubMed ID: 32897178
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2.
    Yadav R; Imran M; Dhamija P; Chaurasia DK; Handu S
    J Biomol Struct Dyn; 2021 Oct; 39(17):6617-6632. PubMed ID: 32715956
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. Comprehensive Virtual Screening of the Antiviral Potentialities of Marine Polycyclic Guanidine Alkaloids against SARS-CoV-2 (COVID-19).
    El-Demerdash A; Metwaly AM; Hassan A; Abd El-Aziz TM; Elkaeed EB; Eissa IH; Arafa RK; Stockand JD
    Biomolecules; 2021 Mar; 11(3):. PubMed ID: 33808721
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases.
    Kumar BK; Faheem ; Sekhar KVGC; Ojha R; Prajapati VK; Pai A; Murugesan S
    J Biomol Struct Dyn; 2022 Feb; 40(3):1363-1386. PubMed ID: 32981461
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic.
    Fakhar Z; Faramarzi B; Pacifico S; Faramarzi S
    J Biomol Struct Dyn; 2021 Oct; 39(16):6171-6183. PubMed ID: 32741312
    [TBL] [Abstract][Full Text] [Related]  

  • 10.
    Maurya AK; Mishra N
    J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach.
    Gupta Y; Kumar S; Zak SE; Jones KA; Upadhyay C; Sharma N; Azizi SA; Kathayat RS; Poonam ; Herbert AS; Durvasula R; Dickinson BC; Dye JM; Rathi B; Kempaiah P
    Bioorg Med Chem; 2021 Oct; 47():116393. PubMed ID: 34509862
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
    Aouidate A; Ghaleb A; Chtita S; Aarjane M; Ousaa A; Maghat H; Sbai A; Choukrad M; Bouachrine M; Lakhlifi T
    J Biomol Struct Dyn; 2021 Aug; 39(12):4522-4535. PubMed ID: 32552534
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants -
    Shree P; Mishra P; Selvaraj C; Singh SK; Chaube R; Garg N; Tripathi YB
    J Biomol Struct Dyn; 2022 Jan; 40(1):190-203. PubMed ID: 32851919
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Screening of potent phytochemical inhibitors against SARS-CoV-2 protease and its two Asian mutants.
    Muhammad I; Rahman N; Gul-E-Nayab ; Niaz S; Basharat Z; Rastrelli L; Jayanthi S; Efferth T; Khan H
    Comput Biol Med; 2021 Jun; 133():104362. PubMed ID: 33894500
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational basis of SARS-CoV 2 main protease inhibition: an insight from molecular dynamics simulation based findings.
    Avti P; Chauhan A; Shekhar N; Prajapat M; Sarma P; Kaur H; Bhattacharyya A; Kumar S; Prakash A; Sharma S; Medhi B
    J Biomol Struct Dyn; 2022; 40(19):8894-8904. PubMed ID: 33998950
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Amentoflavone derivatives significantly act towards the main protease (3CL
    Dey D; Hossain R; Biswas P; Paul P; Islam MA; Ema TI; Gain BK; Hasan MM; Bibi S; Islam MT; Rahman MA; Kim B
    Mol Divers; 2023 Apr; 27(2):857-871. PubMed ID: 35639226
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 16.