Marine Brominated Tyrosine Alkaloids as Promising Inhibitors of SARS-CoV-2
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Summary
Testing the antiviral capacity of fourteen marine brominated tyrosine alkaloids against five different target proteins from SARS-CoV-2 shows promising docking interactions with predicted binding affinities, and fistularin-3 shows promising molecular dynamics, pharmacokinetics, and toxicity profiles.
- Type
- article
- Published
- 2021-10-01
- Cited by
- 13
- References
- 51
- Access
- Open access
- OpenAlex
- https://openalex.org/W3207853523
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:239474941
Keywords
Protein Data Bank (RCSB PDB), Phosphoprotein, Glycoprotein, Tyrosine, Protein Data Bank
References
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- An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure.
- Three bromotyrosine derivatives, one terminating in an unprecedented diketocyclopentenylidene enamine
- An analysis of FDA-approved drugs: natural products and their derivatives.
- Synthesis and biological evaluation of purpurealidin E-derived marine sponge metabolites: aplysamine-2, aplyzanzine A, and suberedamines A and B.
- pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
- CONTRIBUTIONS TO THE STUDY OF MARINE PRODUCTS. XVI. 7-DEHYDROCLIONASTEROL
- Pseudoceramines A-D, new antibacterial bromotyrosine alkaloids from the marine sponge Pseudoceratina sp.
- CONTRIBUTIONS TO THE STUDY OF MARINE PRODUCTS. XXXII. THE NUCLEOSIDES OF SPONGES. I.1
- VMD: visual molecular dynamics.
- Marine natural products: a new wave of drugs?
- New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays.
- g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations
- Total synthesis of psammaplysenes A and B, naturally occurring inhibitors of FOXO1a nuclear export.
- The marine bromotyrosine derivatives.
- Preparation of a psammaplysene-based library.
Cited by
- Investigating the structure-activity relationship of marine polycyclic batzelladine alkaloids as promising inhibitors for SARS-CoV-2 main protease (Mpro)
- Identification of Potential Anti‐COVID‐19 Drug Leads from Medicinal Plants through Virtual High‐Throughput Screening
- Plants as Biofactories for Therapeutic Proteins and Antiviral Compounds to Combat COVID-19
- Investigating the antiviral therapeutic potentialities of marine polycyclic lamellarin pyrrole alkaloids as promising inhibitors for SARS-CoV-2 and Zika main proteases (Mpro)
- Chemical diversity and therapeutic potentialities of seaweeds and marine sponges collected from the Red Sea: An update
- In Vitro and In Silico Antiviral Activity of Di-Halogenated Compounds Derived from L-Tyrosine against Human Immunodeficiency Virus 1 (HIV-1)
- Molecular modeling of lupeol for antiviral activity and cellular effects
- Exploring the Fatty Acid Binding Pocket in the SARS-CoV-2 Spike Protein - Confirmed and Potential Ligands
- Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
- Antiviral Activity of Halogenated Compounds Derived from L-Tyrosine Against SARS-CoV-2
- Development and computational analysis of new alkaloid derivatives as potential inhibitors of the SARS-CoV-2 Mpro.
- Investigating the Antiviral Therapeutic Potentialities of Marine Polycyclic Lamellarin Pyrrole Alkaloids as Promising Inhibitors for SARS-CoV-2 and Zika Main Proteases (Mpro)
- Identification of potential anti-COVID-19 drug leads from Medicinal Plants through Virtual High-Throughput Screening
- Investigating the Structure-Activity Relationship of Marine Polycyclic Batzelladine Alkaloids as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
- Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
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