Other substances

Silibinin

A natural flavonolignan.

Phase of research

Potential treatment - theoretical effect

How it helps

Antiviral

Drug status

Natural product

2
 Supporting references
0
 Contradictory references
9
 AI-suggested references
0
 Clinical trials

General information

Silibinin on PubChem

Synonyms

Silybin

 

Structure image - Silibinin

COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O


 

Supporting references

Link Tested on Impact factor Notes Publication date
SARS-CoV-2 Main Protease Active Site Ligands in the Human Metabolome
3CLpro Small molecule Enzyme assay In vitro Mixed substance In silico 		in silico; in vitro enzyme assay 3.27

Predicted to inhibit SARS-CoV-2 3C-like protease.

 Mar/05/2021
Silibinin as potential tool against SARS‐Cov‐2: In silico spike receptor‐binding domain and main protease molecular docking analysis, and in vitro endothelial protective effects
Spike protein 3CLpro Small molecule In silico 		in silico 4.09

Predicted to bind SARS-CoV-2 Spike protein RBD and have some affinity for 3C-like protease, as well. The compound also displayed anti-inflammatory and anti-thrombotic effects at the level of gene expression.

 Apr/06/2021

AI-suggested references

Link Publication date
Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease.
Jul/27/2021
Computational hunting of natural active compounds as an alternative for Remdesivir to target RNA-dependent polymerase.
Jan/31/2022
Comparative evaluation of flavonoids reveals the superiority and promising inhibition activity of silibinin against SARS-CoV-2.
May/21/2022
Flavan-based phytoconstituents inhibit Mpro, a SARS-COV-2 molecular target, in silico.
Aug/04/2021
Silybin B and Cianidanol Inhibit Mpro and Spike Protein of SARS-CoV-2: Evidence from in silico Molecular Docking Studies.
Dec/12/2020
Plant-Derived Natural Non-Nucleoside Analog Inhibitors (NNAIs) against RNA-Dependent RNA Polymerase Complex (nsp7/nsp8/nsp12) of SARS-CoV-2.
Dec/01/2021
Clinical Management of COVID-19 in Cancer Patients with the STAT3 Inhibitor Silibinin
Dec/24/2021
Silibinin and SARS-CoV-2: Dual Targeting of Host Cytokine Storm and Virus Replication Machinery for Clinical Management of COVID-19 Patients
Jun/07/2020
Silibinin as potential tool against SARS-Cov-2: In silico spike receptor-binding domain and main protease molecular docking analysis, and in vitro endothelial protective effects
Apr/06/2021
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