(Q93263973)

PubMed ID

32340389

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

4 May 2020

title

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

1 reference

PubMed ID

32340389

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

4 May 2020

1 reference

0 references

marine natural product

0 references

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Angela Scala

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Maria T. Sciortino

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Anna Piperno

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Antonio Rescifina

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

author name string

Vincenzo Patamia

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

publication date

23 April 2020

1 reference

PubMed ID

32340389

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

4 May 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

volume

18

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

issue

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

27 May 2020

copyright license

start time

23 April 2020

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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11 February 2021

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A Novel Coronavirus Emerging in China — Key Questions for Impact Assessment

11 February 2021

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Coronaviruses: genome structure, replication, and pathogenesis

11 February 2021

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The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health - The latest 2019 novel coronavirus outbreak in Wuhan, China

11 February 2021

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Computational Tools in the Discovery of FABP4 Ligands: A Statistical and Molecular Modeling Approach

11 February 2021

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Pistacia vera L. oleoresin and levofloxacin is a synergistic combination against resistant Helicobacter pylori strains

11 February 2021

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Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products

11 February 2021

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From SARS to MERS, Thrusting Coronaviruses into the Spotlight

11 February 2021

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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 Ligands

11 February 2021

1 reference

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Phytochemical profiles, phototoxic and antioxidant properties of eleven Hypericum species - A comparative study

11 February 2021

1 reference

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New Apigenin Glycoside, Polyphenolic Constituents, Anti-inflammatory and Hepatoprotective Activities of Gaillardia grandiflora and Gaillardia pulchella Aerial Parts.

11 February 2021

1 reference

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Apigenin inhibits renal cell carcinoma cell proliferation

11 February 2021

1 reference

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Extraction and Identification of Phlorotannins from the Brown Alga, Sargassum fusiforme (Harvey) Setchell

11 February 2021

1 reference

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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. filipjevi

11 February 2021

1 reference

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Pharmit: interactive exploration of chemical space

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Coronaviruses - drug discovery and therapeutic options.

11 February 2021

1 reference

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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.

11 February 2021

1 reference

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Olive leaf components apigenin 7-glucoside and luteolin 7-glucoside direct human hematopoietic stem cell differentiation towards erythroid lineage

11 February 2021

1 reference

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New ways to boost molecular dynamics simulations.

11 February 2021

1 reference

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YASARA View - molecular graphics for all devices - from smartphones to workstations

11 February 2021

1 reference

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Further evidence of a cybridization requirement for plant regeneration from citrus leaf protoplasts following somatic fusion

11 February 2021

1 reference

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Dieckol, a SARS-CoV 3CL(pro) inhibitor, isolated from the edible brown algae Ecklonia cava

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Towards a better understanding of medicinal uses of the brown seaweed Sargassum in Traditional Chinese Medicine: a phytochemical and pharmacological review

11 February 2021

1 reference

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Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimization

11 February 2021

1 reference

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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 miscellaneo

11 February 2021

1 reference

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Pharmacophore modeling and applications in drug discovery: challenges and recent advances

11 February 2021

1 reference

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Effect of phlorotannins isolated from Ecklonia cava on melanogenesis and their protective effect against photo-oxidative stress induced by UV-B radiation.

11 February 2021

1 reference

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Induction of apoptosis by phloroglucinol derivative from Ecklonia Cava in MCF-7 human breast cancer cells.

11 February 2021

1 reference

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Inhibitory effect of phlorotannins isolated from Ecklonia cava on mushroom tyrosinase activity and melanin formation in mouse B16F10 melanoma cells

11 February 2021

1 reference

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N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors

11 February 2021

1 reference

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Anti-allergic effects of phlorotannins on histamine release via binding inhibition between IgE and Fc epsilonRI.

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Anti-HIV-1 activity of phloroglucinol derivative, 6,6'-bieckol, from Ecklonia cava.

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

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 pathway

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Binding interaction of quercetin-3-beta-galactoside and its synthetic derivatives with SARS-CoV 3CL(pro): structure-activity relationship studies reveal salient pharmacophore features

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Comparison of multiple Amber force fields and development of improved protein backbone parameters

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Fast empirical pKa prediction by Ewald summation.

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Improvement of memory by dieckol and phlorofucofuroeckol in ethanol-treated mice: possible involvement of the inhibition of acetylcholinesterase

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Development and testing of a general amber force field

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Identification of novel inhibitors of the SARS coronavirus main protease 3CLpro.

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force field

11 February 2021

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=7231030

11 February 2021

Identifiers

DOI

10.3390/MD18040225

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

27 May 2020

COVIDWHO ID

covidwho-108816

0 references

1127172034

1 reference

Dimensions COVID-19 publications, datasets and clinical trials

DOI

10.6084/M9.FIGSHARE.11961063

28 May 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32340389%20AND%20SRC:MED&resulttype=core&format=json