-
Inhibition of the SARS-CoV-2 3CLpro main protease by plant polyphenolsBahun, Miha ...The abundance of polyphenols in edible plants makes them an important component of human nutrition. Considering the ongoing COVID-19 pandemic, a number of studies have investigated polyphenols as ... bioactive constituents. We applied in-silico molecular docking as well as molecular dynamics supported by in-vitro assays to determine the inhibitory potential of various plant polyphenols against an important SARS-CoV-2 therapeutic target, the protease 3CLpro. Of the polyphenols in initial in-vitro screening, quercetin, ellagic acid, curcumin, epigallocatechin gallate and resveratrol showed IC50 values of 11.8 μM to 23.4 μM. In-silico molecular dynamics simulations indicated stable interactions with the 3CLpro active site over 100 ns production runs. Moreover, surface plasmon resonance spectroscopy was used to measure the binding of polyphenols to 3CLpro in real time. Therefore, we provide evidence for inhibition of SARS-CoV-2 3CLpro by natural plant polyphenols, and suggest further research into the development of these novel 3CLpro inhibitors or biochemical probes.Source: Food chemistry. - ISSN 0308-8146 (Vol. 373, part B, 2022, str. 1-10, art. 131594)Type of material - article, component partPublish date - 2022Language - englishCOBISS.SI-ID - 84899331
Author
Bahun, Miha |
Jukič, Marko |
Oblak, Domen |
Kranjc, Luka, 1987- |
Bajc, Gregor, dipl. biol. |
Butala, Matej, biokemik, 1979- |
Bozovičar, Krištof |
Bratkovič, Tomaž, farmacevt, 1978- |
Podlipnik, Črtomir |
Poklar Ulrih, Nataša
Topics
užitne rastline |
fenolne spojine |
inhibitorji proteaz |
SARS-CoV-2 (virus) |
polyphenols |
COVID-19 |
SARS-CoV-2 |
protease inhibitor
Shelf entry
Permalink
- URL:
Impact factor
Access to the JCR database is permitted only to users from Slovenia. Your current IP address is not on the list of IP addresses with access permission, and authentication with the relevant AAI accout is required.
Year | Impact factor | Edition | Category | Classification | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Select the library membership card:
DRS, in which the journal is indexed
Database name | Field | Year |
---|
Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
---|---|
Bahun, Miha | 39095 |
Jukič, Marko | 32587 |
Oblak, Domen | 51997 |
Kranjc, Luka, 1987- | 34331 |
Bajc, Gregor, dipl. biol. | 30435 |
Butala, Matej, biokemik, 1979- | 24290 |
Bozovičar, Krištof | 53738 |
Bratkovič, Tomaž, farmacevt, 1978- | 23598 |
Podlipnik, Črtomir | 15293 |
Poklar Ulrih, Nataša | 10873 |
Select pickup location:
Material pickup by post
Notification
Subject headings in COBISS General List of Subject Headings
Select pickup location
Pickup location | Material status | Reservation |
---|
Please wait a moment.