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 *

167 related articles for article (PubMed ID: 37458994)

  • 1. Exploring epigenetic drugs as potential inhibitors of SARS-CoV-2 main protease: a docking and MD simulation study.
    Uzuner U; Akkus E; Kocak A; Çelik Uzuner S
    J Biomol Struct Dyn; 2024 Aug; 42(13):6892-6903. PubMed ID: 37458994
    [TBL] [Abstract][Full Text] [Related]  

  • 2. In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease.
    de Oliveira Só YA; Bezerra KS; Gargano R; Mendonça FLL; Souto JT; Fulco UL; Pereira Junior ML; Junior LAR
    Biomolecules; 2024 Jun; 14(7):. PubMed ID: 39062468
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by
    Bhowmick S; Mistri TK; Khan MR; Patil PC; Busquets R; Ashif Ikbal AM; Choudhury A; Roy DK; Palit P; Saha A
    J Biomol Struct Dyn; 2024 Sep; 42(14):7107-7127. PubMed ID: 37482789
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Exploring the Binding Mechanism of PF-07321332 SARS-CoV-2 Protease Inhibitor through Molecular Dynamics and Binding Free Energy Simulations.
    Ahmad B; Batool M; Ain QU; Kim MS; Choi S
    Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502033
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M
    Ghosh A; Chakraborty M; Chandra A; Alam MP
    J Mol Model; 2021 Feb; 27(3):97. PubMed ID: 33641023
    [TBL] [Abstract][Full Text] [Related]  

  • 6. In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors.
    Ibrahim MAA; Abdelrahman AHM; Allemailem KS; Almatroudi A; Moustafa MF; Hegazy MF
    Protein J; 2021 Jun; 40(3):296-309. PubMed ID: 33387249
    [TBL] [Abstract][Full Text] [Related]  

  • 7. In silico screening of potential inhibitors from Cordyceps species against SARS-CoV-2 main protease.
    Deshmukh N; Talkal R; Lakshmi B
    J Biomol Struct Dyn; 2024 Jun; 42(9):4395-4411. PubMed ID: 37325819
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Searching possible SARS-CoV-2 main protease inhibitors in constituents from herbal medicines using
    Rasul HO; Thomas NV; Ghafour DD; Aziz BK; Salgado M G; Mendoza-Huizar LH; Candia LG
    J Biomol Struct Dyn; 2024 May; 42(8):4234-4248. PubMed ID: 37349945
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Targeting SARS-CoV-2 Main Protease: A Computational Drug Repurposing Study.
    Baby K; Maity S; Mehta CH; Suresh A; Nayak UY; Nayak Y
    Arch Med Res; 2021 Jan; 52(1):38-47. PubMed ID: 32962867
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach.
    Bhowmick S; Saha A; Osman SM; Alasmary FA; Almutairi TM; Islam MA
    Mol Divers; 2021 Aug; 25(3):1979-1997. PubMed ID: 33844135
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Genetic Surveillance of SARS-CoV-2 M
    Lee JT; Yang Q; Gribenko A; Perrin BS; Zhu Y; Cardin R; Liberator PA; Anderson AS; Hao L
    mBio; 2022 Aug; 13(4):e0086922. PubMed ID: 35862764
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M
    Tejera E; Munteanu CR; López-Cortés A; Cabrera-Andrade A; Pérez-Castillo Y
    Molecules; 2020 Nov; 25(21):. PubMed ID: 33172092
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Computational Insights into SARS-CoV-2 Main Protease Mutations and Nirmatrelvir Efficacy: The Effects of P132H and P132H-A173V.
    Xia YL; Du WW; Li YP; Tao Y; Zhang ZB; Liu SM; Fu YX; Zhang KQ; Liu SQ
    J Chem Inf Model; 2024 Jul; 64(13):5207-5218. PubMed ID: 38913174
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Potential SARS-CoV-2 protease M
    Kouznetsova VL; Huang DZ; Tsigelny IF
    Phys Biol; 2021 Feb; 18(2):025001. PubMed ID: 33203811
    [TBL] [Abstract][Full Text] [Related]  

  • 15.
    Philippsen GS; Seixas FAV
    J Biomol Struct Dyn; 2024 Aug; 42(12):6440-6447. PubMed ID: 37424215
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Blue Biotechnology: Computational Screening of
    Ibrahim MAA; Abdelrahman AHM; Atia MAM; Mohamed TA; Moustafa MF; Hakami AR; Khalifa SAM; Alhumaydhi FA; Alrumaihi F; Abidi SH; Allemailem KS; Efferth T; Soliman ME; Paré PW; El-Seedi HR; Hegazy MF
    Mar Drugs; 2021 Jul; 19(7):. PubMed ID: 34356816
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA.
    da Fonseca AM; Caluaco BJ; Madureira JMC; Cabongo SQ; Gaieta EM; Djata F; Colares RP; Neto MM; Fernandes CFC; Marinho GS; Dos Santos HS; Marinho ES
    Mol Biotechnol; 2024 Aug; 66(8):1919-1933. PubMed ID: 37490200
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Computational Screening Using a Combination of Ligand-Based Machine Learning and Molecular Docking Methods for the Repurposing of Antivirals Targeting the SARS-CoV-2 Main Protease.
    Yuda GPWC; Hanif N; Hermawan A
    Daru; 2024 Jun; 32(1):47-65. PubMed ID: 37907683
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Investigating the promising SARS-CoV-2 main protease inhibitory activity of secoiridoids isolated from
    Al-Karmalawy AA; Alnajjar R; Elmaaty AA; Binjubair FA; Al-Rashood ST; Mansour BS; Elkamhawy A; Eldehna WM; Mansour KA
    J Biomol Struct Dyn; 2024 Aug; 42(13):6941-6953. PubMed ID: 37505066
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.