ALL libraries (COBIB.SI union bibliographic/catalogue database)
-
Mur ligase F as a new target for the flavonoids quercitrin, myricetin, and (–)-epicatechinHrast, Martina ...MurC, D, E, and F are ATP-dependent ligases involved in the stepwise assembly of the tetrapeptide stem of forming peptidoglycan. As highly conserved targets found exclusively in bacterial cells, they ... are of significant interest for antibacterial drug discovery. In this study, we employed a computer-aided molecular design approach to identify potential inhibitors of MurF. A biochemical inhibition assay was conducted, screening twenty-four flavonoids and related compounds against MurC-F, resulting in the identification of quercitrin, myricetin, and (-)-epicatechin as MurF inhibitors with IC50 values of 143 µM, 139 µM, and 92 µM, respectively. Notably, (-)-epicatechin demonstrated mixed type inhibition with ATP and uncompetitive inhibition with D-Ala-D-Ala dipeptide and UM3DAP substrates. Furthermore, in silico analysis using Sitemap and subsequent docking analysis using Glide revealed two plausible binding sites for (-)-epicatechin. The study also investigated the crucial structural features required for activity, with a particular focus on the substitution pattern and hydroxyl group positions, which were found to be important for the activity. The study highlights the significance of computational approaches in targeting essential enzymes involved in bacterial peptidoglycan synthesis.Source: Journal of computer-aided molecular design. - ISSN 0920-654X (Vol. 37, iss. 12, 2023, str. 721-733)Type of material - article, component part ; adult, seriousPublish date - 2023Language - englishCOBISS.SI-ID - 167509251
Author
Hrast, Martina |
Zdovc, Irena |
Kočevar Glavač, Nina |
Gobec, Stanislav, 1970- |
Frlan, Rok
Topics
Farmacevtska kemija |
Tarčna zdravila |
(–)-epicatechin |
antibacterial |
MurF |
myricetin |
quercitrin
Author | Hrast, Martina ... |
Title | Mur ligase F as a new target for the flavonoids quercitrin, myricetin, and (–)-epicatechin |
Publication date | 2023-10-05 |
COBISS.SI-ID | 167509251 |
Publication version in repository | Publisher's version |
Publication licence | Creative Commons Attribution 4.0 International |
Embargo | Immediate publication for public |
Project(s) from which the publication was funded
Title | Acronym | Project ID | Funder |
---|---|---|---|
Razvoj protibakteriskih učinkovin z delovanjem na validirane tarče v biosintezi peptidoglikana | J1-2484-2020 |
Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije |
|
Farmacevtska kemija: načrtovanje, sinteza in vrednotenje učinkovin | P1-0208-2022 |
Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije |
|
Zdravje živali, okolje in varna hrana | P4-0092-2020 |
Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije |
Files that belong to the publication
Link |
---|
https://link.springer.com/article/10.1007/s10822-023-00535-z |
https://repozitorij.uni-lj.si/IzpisGradiva.php?id=152205 |
source: Journal of computer-aided molecular design. - ISSN 0920-654X (Vol. 37, iss. 12, 2023, str. 721-733)
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:
If the library membership card is not in the list,
add a new one.
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 |
---|---|
Hrast, Martina | 32036 |
Zdovc, Irena | 12682 |
Kočevar Glavač, Nina | 26495 |
Gobec, Stanislav, 1970- | 15284 |
Frlan, Rok | 26512 |
Source: Personal bibliographies
and: SICRIS
Select pickup location:
Material pickup by post
Delivery address:
Address is missing from the member's data.
The address retrieval service is currently unavailable, please try again.
By clicking the "OK" button, you will confirm the pickup location selected above and complete the reservation process.
By clicking the "OK" button, you will confirm the above pickup location and delivery address, and complete the reservation process.
By clicking the "OK" button, you will confirm the address selected above and complete the reservation process.
Notification
Automatic login and reservation service currently not available. You can reserve the material on the Biblos portal or try again here later.
Subject headings in COBISS General List of Subject Headings
Select pickup location
The material from the parent unit is free. If the material is delivered to the pickup location from another unit, the library may charge you for this service.
Pickup location | Material status | Reservation |
---|
Reservation in progress
Please wait a moment.
Reservation was successful.
Reservation failed.
Reservation...
Membership card:
Pickup location: