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Journal Abstract Search

261 related items for PubMed ID: 32845150

  • 1. De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.
    Domenico A, Nicola G, Daniela T, Fulvio C, Nicola A, Orazio N.
    J Chem Inf Model; 2020 Oct 26; 60(10):4582-4593. PubMed ID: 32845150
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 3. In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus.
    Eleftheriou P, Amanatidou D, Petrou A, Geronikaki A.
    Molecules; 2020 May 29; 25(11):. PubMed ID: 32485894
    [Abstract] [Full Text] [Related]

  • 4. Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations.
    Abu-Saleh AAA, Awad IE, Yadav A, Poirier RA.
    Phys Chem Chem Phys; 2020 Oct 21; 22(40):23099-23106. PubMed ID: 33025993
    [Abstract] [Full Text] [Related]

  • 5. Structural-based virtual screening and in vitro assays for small molecules inhibiting the feline coronavirus 3CL protease as a surrogate platform for coronaviruses.
    Theerawatanasirikul S, Kuo CJ, Phecharat N, Chootip J, Lekcharoensuk C, Lekcharoensuk P.
    Antiviral Res; 2020 Oct 21; 182():104927. PubMed ID: 32910955
    [Abstract] [Full Text] [Related]

  • 6. Development of a Fluorescence-Based, High-Throughput SARS-CoV-2 3CLpro Reporter Assay.
    Froggatt HM, Heaton BE, Heaton NS.
    J Virol; 2020 Oct 27; 94(22):. PubMed ID: 32843534
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  • 10. Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study.
    Ferraz WR, Gomes RA, S Novaes AL, Goulart Trossini GH.
    Future Med Chem; 2020 Oct 27; 12(20):1815-1828. PubMed ID: 32787684
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  • 12. Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease.
    Huynh T, Wang H, Luan B.
    Phys Chem Chem Phys; 2020 Nov 21; 22(43):25335-25343. PubMed ID: 33140777
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  • 13. Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach.
    Murugan NA, Kumar S, Jeyakanthan J, Srivastava V.
    Sci Rep; 2020 Nov 05; 10(1):19125. PubMed ID: 33154404
    [Abstract] [Full Text] [Related]

  • 14. Biochemical screening for SARS-CoV-2 main protease inhibitors.
    Coelho C, Gallo G, Campos CB, Hardy L, Würtele M.
    PLoS One; 2020 Nov 05; 15(10):e0240079. PubMed ID: 33022015
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  • 15. Combining fragment docking with graph theory to improve ligand docking for homology model structures.
    Sarfaraz S, Muneer I, Liu H.
    J Comput Aided Mol Des; 2020 Dec 05; 34(12):1237-1259. PubMed ID: 33034007
    [Abstract] [Full Text] [Related]

  • 16. 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 Dec 05; 15(7):e0235030. PubMed ID: 32706783
    [Abstract] [Full Text] [Related]

  • 17. 3CLpro inhibitors as a potential therapeutic option for COVID-19: Available evidence and ongoing clinical trials.
    Sisay M.
    Pharmacol Res; 2020 Jun 05; 156():104779. PubMed ID: 32247821
    [No Abstract] [Full Text] [Related]

  • 18. In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking.
    Joshi T, Joshi T, Sharma P, Mathpal S, Pundir H, Bhatt V, Chandra S.
    Eur Rev Med Pharmacol Sci; 2020 Apr 05; 24(8):4529-4536. PubMed ID: 32373991
    [Abstract] [Full Text] [Related]

  • 19. Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation.
    Nayarisseri A, Khandelwal R, Madhavi M, Selvaraj C, Panwar U, Sharma K, Hussain T, Singh SK.
    Curr Top Med Chem; 2020 Apr 05; 20(24):2146-2167. PubMed ID: 32621718
    [Abstract] [Full Text] [Related]

  • 20. High-Throughput Screening for Inhibitors of the SARS-CoV-2 Protease Using a FRET-Biosensor.
    Brown AS, Ackerley DF, Calcott MJ.
    Molecules; 2020 Oct 13; 25(20):. PubMed ID: 33066278
    [Abstract] [Full Text] [Related]

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