ArticleJournal of molecular modeling2021
Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics.
Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers, 1 of them a synthesis that pooled it.
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Who cites it
13 citing papers in PubMed, 1 synthesis or guideline pooled it, 35 citations in OpenAlex.
- Global research landscape and multisystem health mechanisms of luteolin: a comprehensive bibliometric and network pharmacology study.Frontiers in nutrition · 2026Pooled it
- Antiviral Activity and Underlying Mechanism ofMolecules (Basel, Switzerland) · 2025Article
- In silico ligand self-assembly drives binding recognition of natural products intoIn silico pharmacology · 2025Article
- Physiology and molecular biology of plants : an international journal of functional plant biology · 2024Review
- Antiviral activity of luteolin against porcine epidemic diarrhea virus in silico and in vitro.BMC veterinary research · 2024Article
- Drug repositioning identifies salvinorin A and deacetylgedunin (DCG) enriched plant extracts as novel inhibitors of Mpro, RBD-ACE2 and TMPRRS2 proteins.RSC advances · 2024Article
- Latin American Plants against Microorganisms.Plants (Basel, Switzerland) · 2023Review
- Strategies for the Management of Spike Protein-Related Pathology.Microorganisms · 2023Review
- Article
- Analysis and Identification of Bioactive Compounds of Cannabinoids in Silico for Inhibition of SARS-CoV-2 and SARS-CoV.Biomolecules · 2022Article
- In Silico Approach for the Evaluation of the Potential Antiviral Activity of Extra Virgin Olive Oil (EVOO) Bioactive Constituents Oleuropein and Oleocanthal on Spike Therapeutic Drug Target of SARS-CoV-2.Molecules (Basel, Switzerland) · 2022Article
- Successful Treatment of a Patient With Severe COVID-19 Using an Integrated Approach Addressing Mast Cells and Their Mediators.International journal of infectious diseases : IJID : official publication of the International Society for Infectious Diseases · 2022Article
- Are Antiviral Flavonoids Part of the Solution to the COVID-19 Pandemic?Integrative medicine (Encinitas, Calif.) · 2021Article
Corrections and comments
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Authors and funding
7 authors at 5 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Natural products have served human life as medications for centuries. During the outbreak of COVID-19, a number of naturally derived compounds and extracts have been tested or used as potential remedies against COVID-19. Tetradenia riparia extract is one of the plant extracts that have been deployed and claimed to manage and control COVID-19 by some communities in Tanzania and other African countries. The active compounds isolated from T. riparia are known to possess various biological properties including antimalarial and antiviral. However, the underlying mechanism of the active compounds against SARS-CoV-2 remains unknown. Results in the present work have been interpreted from the view point of computational methods including molecular dynamics, free energy methods, and metadynamics to establish the related mechanism of action. Among the constituents of T. riparia studied, luteolin inhibited viral cell entry and was thermodynamically stable. The title compound exhibit residence time and unbinding kinetics of 68.86 ms and 0.014 /ms, respectively. The findings suggest that luteolin could be potent blocker of SARS-CoV-2 cell entry. The study shades lights towards identification of bioactive constituents from T. riparia against COVID-19, and thus bioassay can be carried out to further validate such observations.
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Registered trials
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