ArticleScientific reports2021
Catechin and curcumin interact with S protein of SARS-CoV2 and ACE2 of human cell membrane: insights from computational studies.
Article in Scientific reports, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 77 papers, 2 of them syntheses that pooled it.
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Who cites it
77 citing papers in PubMed, 2 syntheses or guidelines pooled it, 156 citations in OpenAlex.
- Curcumin and multiple health outcomes: critical umbrella review of intervention meta-analyses.Frontiers in pharmacology · 2025Pooled it
- Olive Leaves as a Potential Phytotherapy in the Treatment of COVID-19 Disease; A Mini-Review.Frontiers in pharmacology · 2022Pooled it
- Trial
- Tea Polyphenols in the COVID-19 Era: Mechanistic Insights and Translational Challenges.Current issues in molecular biology · 2026Review
- Halved but Potent: Exploring the Inhibitory Property of Curcumin Derivatives Against Evolving SARS-CoV-2 Strains.The protein journal · 2026Article
- Pyrogallol B-ring enhances catechin binding to the SARS-CoV-2 spike receptor-binding domain to inhibit interaction with ACE2.Scientific reports · 2026Article
- Curcumin-Based Virtual Screening Identifies Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding.Medicinal chemistry (Shariqah (United Arab Emirates)) · 2026Article
- Angiotensin-Converting Enzyme-2 (ACE2) Downregulation During Coronavirus Infection.Molecular biotechnology · 2025Review
- The Antiviral Activity of Polyphenols.Molecular nutrition & food research · 2025Review
- Using Machine Learning to Analyze Molecular Dynamics Simulations of Biomolecules.The journal of physical chemistry. B · 2025Article
- Impact of Glucose, Inflammation and Phytochemicals onAntioxidants (Basel, Switzerland) · 2025Article
- In vitro study on efficacy of SKF7BMC complementary medicine and therapies · 2024Article
- Effect of polyphenols against complications of COVID-19: current evidence and potential efficacy.Pharmacological reports : PR · 2024Review
- A novel film spray containing curcumin inhibits SARS-CoV-2 and influenza virus infection and enhances mucosal immunity.Virology journal · 2024Article
- Possible roles of phytochemicals with bioactive properties in the prevention of and recovery from COVID-19.Frontiers in nutrition · 2024Article
- Curcumin as an antiviral agent and immune-inflammatory modulator in COVID-19: A scientometric analysis.Heliyon · 2023Article
- 2,4-Dihydroxycinnamic acid as spike ACE2 inhibitor and apigenin as RdRp inhibitor in Nimbamritadi Panchatiktam Kashayam against COVID-19: an in silico and in vitro approach.Molecular diversity · 2023Article
- Article
- Oxidative stress and COVID-19-associated neuronal dysfunction: mechanisms and therapeutic implications.Acta biochimica et biophysica Sinica · 2023Review
- Treatments of COVID-19-Associated Taste and Saliva Secretory Disorders.Dentistry journal · 2023Review
17 more citing papers are in PubMed but not listed here.
Corrections and comments
- Erratum issued
Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The recent outbreak of the coronavirus (SARS-CoV2) is an unprecedented threat to human health and society across the globe. In this context, development of suitable interventions is the need of the hour. The viral spike protein (S Protein) and the cognate host cell receptor ACE2 can be considered as effective and appropriate targets for interventions. It is evident from the present computational study, that catechin and curcumin, not only exhibit strong binding affinity to viral S Protein and host receptor ACE2 but also to their complex (receptor-binding domain (RBD) of the spike protein of SARS-CoV2 and ACE2; RBD/ACE2-complex). The binding affinity values of catechin and curcumin for the S protein, ACE2 and RBD/ACE2-complex are - 10.5 and - 7.9 kcal/mol; - 8.9 and - 7.8 kcal/mol; and - 9.1 and - 7.6 kcal/mol, respectively. Curcumin directly binds to the receptor binding domain (RBD) of viral S Protein. Molecular simulation study over a period of 100 ns further substantiates that such interaction within RBD site of S Protein occurs during 40-100 ns out of 100 ns simulation trajectory. Contrary to this, catechin binds with amino acid residues present near the RBD site of S Protein and causes fluctuation in the amino acid residues of the RBD and its near proximity. Both catechin and curcumin bind the interface of 'RBD/ACE2-complex' and intervene in causing fluctuation of the alpha helices and beta-strands of the protein complex. Protein-protein interaction studies in presence of curcumin or catechin also corroborate the above findings suggesting the efficacy of these two polyphenols in hindering the formation of S Protein-ACE2 complex. In conclusion, this computational study for the first time predicts the possibility of above two polyphenols for therapeutic strategy against SARS-CoV2.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.