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PUBMED FOR HANDHELDS

Journal Abstract Search

1313 related items for PubMed ID: 33251983

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  • 2. Optimization Rules for SARS-CoV-2 Mpro Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site.
    Stoddard SV, Stoddard SD, Oelkers BK, Fitts K, Whalum K, Whalum K, Hemphill AD, Manikonda J, Martinez LM, Riley EG, Roof CM, Sarwar N, Thomas DM, Ulmer E, Wallace FE, Pandey P, Roy S.
    Viruses; 2020 Aug 26; 12(9):. PubMed ID: 32859008
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  • 4. 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 26; 13(9):1210-1223. PubMed ID: 32561274
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  • 7. Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 Mpro Protease.
    Tejera E, Munteanu CR, López-Cortés A, Cabrera-Andrade A, Pérez-Castillo Y.
    Molecules; 2020 Nov 06; 25(21):. PubMed ID: 33172092
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  • 9. 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 06; 25(3):1979-1997. PubMed ID: 33844135
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  • 10. In silico identification of D449-0032 compound as a putative SARS-CoV-2 Mpro inhibitor.
    Philippsen GS, Seixas FAV.
    J Biomol Struct Dyn; 2024 Aug 06; 42(12):6440-6447. PubMed ID: 37424215
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  • 11. In silico screening of therapeutic potentials from Strychnos nux-vomica against the dimeric main protease (Mpro) structure of SARS-CoV-2.
    Kumar B, Parasuraman P, Murthy TPK, Murahari M, Chandramohan V.
    J Biomol Struct Dyn; 2022 Oct 06; 40(17):7796-7814. PubMed ID: 33759690
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  • 12. Comprehensive in silico screening of flavonoids against SARS-CoV-2 main protease.
    Moezzi MS.
    J Biomol Struct Dyn; 2023 Nov 06; 41(19):9448-9461. PubMed ID: 36342071
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  • 13. A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease.
    Mandour YM, Zlotos DP, Alaraby Salem M.
    J Biomol Struct Dyn; 2022 Mar 06; 40(5):2327-2338. PubMed ID: 33094680
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  • 14. 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 06; 32(1):47-65. PubMed ID: 37907683
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  • 15. Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 Mpro.
    Mohan A, Rendine N, Mohammed MKS, Jeeva A, Ji HF, Talluri VR.
    Mol Divers; 2022 Jun 06; 26(3):1645-1661. PubMed ID: 34480682
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  • 16. In silico Study to Evaluate the Antiviral Activity of Novel Structures against 3C-like Protease of Novel Coronavirus (COVID-19) and SARS-CoV.
    Chunduru K, Sankhe R, Begum F, Sodum N, Kumar N, Kishore A, Shenoy RR, Rao CM, Saravu K.
    Med Chem; 2021 Jun 06; 17(4):380-395. PubMed ID: 32720605
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  • 17. Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease.
    Gogoi N, Chowdhury P, Goswami AK, Das A, Chetia D, Gogoi B.
    Mol Divers; 2021 Aug 06; 25(3):1745-1759. PubMed ID: 33236176
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  • 18. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study.
    Ancy I, Sivanandam M, Kumaradhas P.
    J Biomol Struct Dyn; 2021 Sep 06; 39(15):5368-5375. PubMed ID: 32627689
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  • 19. Identification of potential SARS-CoV-2 Mpro inhibitors integrating molecular docking and water thermodynamics.
    Sobhia ME, Ghosh K, Sivangula S, Kumar S, Singh H.
    J Biomol Struct Dyn; 2022 Jul 06; 40(11):5079-5089. PubMed ID: 33413032
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  • 20. In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2.
    Rudrapal M, Issahaku AR, Agoni C, Bendale AR, Nagar A, Soliman MES, Lokwani D.
    J Biomol Struct Dyn; 2022 Jul 06; 40(20):10437-10453. PubMed ID: 34182889
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