BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

500 related articles for article (PubMed ID: 33251975)

  • 1. Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
    Rafi MO; Bhattacharje G; Al-Khafaji K; Taskin-Tok T; Alfasane MA; Das AK; Parvez MAK; Rahman MS
    J Biomol Struct Dyn; 2022 May; 40(8):3711-3730. PubMed ID: 33251975
    [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. Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods.
    Güner E; Özkan Ö; Yalcin-Ozkat G; Ölgen S
    Med Chem; 2024; 20(2):153-231. PubMed ID: 37957860
    [TBL] [Abstract][Full Text] [Related]  

  • 4.
    Kumar B; Parasuraman P; Murthy TPK; Murahari M; Chandramohan V
    J Biomol Struct Dyn; 2022 Oct; 40(17):7796-7814. PubMed ID: 33759690
    [TBL] [Abstract][Full Text] [Related]  

  • 5. New anti-viral drugs for the treatment of COVID-19 instead of favipiravir.
    Aktaş A; Tüzün B; Aslan R; Sayin K; Ataseven H
    J Biomol Struct Dyn; 2021 Nov; 39(18):7263-7273. PubMed ID: 32783586
    [TBL] [Abstract][Full Text] [Related]  

  • 6. In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2.
    Abdizadeh R; Hadizadeh F; Abdizadeh T
    Mol Divers; 2022 Apr; 26(2):1053-1076. PubMed ID: 34213728
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational Analysis Reveals Monomethylated Triazolopyrimidine as a Novel Inhibitor of SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp).
    Karthic A; Kesarwani V; Singh RK; Yadav PK; Chaturvedi N; Chauhan P; Yadav BS; Kushwaha SK
    Molecules; 2022 Jan; 27(3):. PubMed ID: 35164069
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches.
    Sharma A; Vora J; Patel D; Sinha S; Jha PC; Shrivastava N
    J Biomol Struct Dyn; 2022 Apr; 40(7):3296-3311. PubMed ID: 33183178
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations.
    Mosquera-Yuqui F; Lopez-Guerra N; Moncayo-Palacio EA
    J Biomol Struct Dyn; 2022 Mar; 40(5):2010-2023. PubMed ID: 33084512
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Virtual Screening and Quantum Chemistry Analysis for SARS-CoV-2 RNA-Dependent RNA Polymerase Using the ChEMBL Database: Reproduction of the Remdesivir-RTP and Favipiravir-RTP Binding Modes Obtained from Cryo-EM Experiments with High Binding Affinity.
    Tsuji M
    Int J Mol Sci; 2022 Sep; 23(19):. PubMed ID: 36232311
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comprehensive in silico screening of flavonoids against SARS-CoV-2 main protease.
    Moezzi MS
    J Biomol Struct Dyn; 2023 Nov; 41(19):9448-9461. PubMed ID: 36342071
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 25 (S)-Hydroxycholesterol acts as a possible dual enzymatic inhibitor of SARS-CoV-2 M
    Alzahrani FA; Alkarim SA; Hawsawi YM; Abdulaal WH; Albiheyri R; Kurdi B; Alguridi H; El-Magd MA
    J Biomol Struct Dyn; 2023 Jul; 41(10):4744-4755. PubMed ID: 35510619
    [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. Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.
    Patil VR; Dhote AM; Patil R; Amnerkar ND; Lokwani DK; Ugale VG; Charbe NB; Firke SD; Chaudhari P; Shah SK; Mehta CH; Nayak UY; Khadse SC
    J Biomol Struct Dyn; 2023; 41(22):13168-13179. PubMed ID: 36757134
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Repositioning Therapeutics for SARS-CoV-2: Virtual Screening of Plant-based Anti-HIV Compounds as Possible Inhibitors against COVID-19 Viral RdRp.
    Murali M; Gowtham HG; Ansari MA; Alomary MN; Alghamdi S; Almehmadi M; Singh SB; Shilpa N; Aiyaz M; Kalegowda N; Ledesma AE; Amruthesh KN
    Curr Pharm Des; 2022; 28(12):969-980. PubMed ID: 35796443
    [TBL] [Abstract][Full Text] [Related]  

  • 17. State-of-the-Art Molecular Dynamics Simulation Studies of RNA-Dependent RNA Polymerase of SARS-CoV-2.
    Tanimoto S; Itoh SG; Okumura H
    Int J Mol Sci; 2022 Sep; 23(18):. PubMed ID: 36142270
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Anisotine and amarogentin as promising inhibitory candidates against SARS-CoV-2 proteins: a computational investigation.
    Kar P; Kumar V; Vellingiri B; Sen A; Jaishee N; Anandraj A; Malhotra H; Bhattacharyya S; Mukhopadhyay S; Kinoshita M; Govindasamy V; Roy A; Naidoo D; Subramaniam MD
    J Biomol Struct Dyn; 2022 Jul; 40(10):4532-4542. PubMed ID: 33305988
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Early antiviral treatment in outpatients with COVID-19 (FLARE): a structured summary of a study protocol for a randomised controlled trial.
    Brown LK; Freemantle N; Breuer J; Dehbi HM; Chowdhury K; Jones G; Ikeji F; Ndoutoumou A; Santhirakumar K; Longley N; Checkley AM; Standing JF; Lowe DM
    Trials; 2021 Mar; 22(1):193. PubMed ID: 33685502
    [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 25.