Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

scientific article published on 23 April 2020

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study is …
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scholarly articleQ13442814

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P8150COVIDWHO IDcovidwho-108816
P6179Dimensions Publication ID1127172034
P356DOI10.3390/MD18040225
P932PMC publication ID7231030
P698PubMed publication ID32340389
P8299Semantic Scholar corpus ID216595293

P50authorAngela ScalaQ57561249
Davide GentileQ91203247
Maria T. SciortinoQ39928284
Antonio RescifinaQ40364172
Anna PipernoQ40364206
P2093author name stringVincenzo Patamia
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Extraction and Identification of Phlorotannins from the Brown Alga, Sargassum fusiforme (Harvey) SetchellQ42279653
Dieckol, a SARS-CoV 3CL(pro) inhibitor, isolated from the edible brown algae Ecklonia cavaQ44440454
Identification of novel inhibitors of the SARS coronavirus main protease 3CLpro.Q44861300
Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimizationQ45767470
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Induction of apoptosis by phloroglucinol derivative from Ecklonia Cava in MCF-7 human breast cancer cells.Q46037532
Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated estersQ46580414
Improvement of memory by dieckol and phlorofucofuroeckol in ethanol-treated mice: possible involvement of the inhibition of acetylcholinesteraseQ46617141
Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitorsQ46775721
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A Structure- and Ligand-Based Virtual Screening of a Database of "Small" Marine Natural Products for the Identification of "Blue" Sigma-2 Receptor LigandsQ57467576
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Coronaviruses: genome structure, replication, and pathogenesisQ83500389
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Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoVQ89542749
Structure of Mpro from COVID-19 virus and discovery of its inhibitorsQ89975279
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Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitorsQ27648126
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Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elementsQ28248081
Characterization of Three Novel Fatty Acid- and Retinoid-Binding Protein Genes (Ha-far-1, Ha-far-2 and Hf-far-1) from the Cereal Cyst Nematodes Heterodera avenae and H. filipjeviQ28553342
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Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force fieldQ28874041
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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.Q36766916
Pharmacophore modeling and applications in drug discovery: challenges and recent advancesQ37723606
Apigenin inhibits renal cell carcinoma cell proliferationQ37746158
Marine pharmacology in 2007-8: Marine compounds with antibacterial, anticoagulant, antifungal, anti-inflammatory, antimalarial, antiprotozoal, antituberculosis, and antiviral activities; affecting the immune and nervous system, and other miscellaneoQ37786425
Towards a better understanding of medicinal uses of the brown seaweed Sargassum in Traditional Chinese Medicine: a phytochemical and pharmacological reviewQ38017528
Olive leaf components apigenin 7-glucoside and luteolin 7-glucoside direct human hematopoietic stem cell differentiation towards erythroid lineageQ38841552
Inhibitory effect of phlorotannins isolated from Ecklonia cava on mushroom tyrosinase activity and melanin formation in mouse B16F10 melanoma cellsQ39861838
Anti-allergic effects of phlorotannins on histamine release via binding inhibition between IgE and Fc epsilonRI.Q39909312
Eckol protects V79-4 lung fibroblast cells against gamma-ray radiation-induced apoptosis via the scavenging of reactive oxygen species and inhibiting of the c-Jun NH(2)-terminal kinase pathwayQ39961735
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue4
P921main subjectnatural productQ901227
virtual screeningQ4112105
SARS-CoV-2Q82069695
marine natural productQ110316108
P577publication date2020-04-23
P1433published inMarine DrugsQ2122804
P1476titlePutative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study
P478volume18

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cites work (P2860)
Q104840023COCONUT online: Collection of Open Natural Products database
Q101403072Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach
Q99619188The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS-CoV-2 targets

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