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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 (\u2013)-epicatechin as MurF inhibitors with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 143 \u00b5M, 139 \u00b5M, and 92 \u00b5M, respectively. Notably, (\u2013)-epicatechin demonstrated mixed type inhibition with ATP and uncompetitive inhibition with\n                    <jats:sc>d<\/jats:sc>\n                    -Ala-\n                    <jats:sc>d<\/jats:sc>\n                    -Ala dipeptide and UM3DAP substrates. Furthermore,\n                    <jats:italic>in silico<\/jats:italic>\n                    analysis using Sitemap and subsequent docking analysis using Glide revealed two plausible binding sites for (\u2013)-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.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Graphical abstract<\/jats:bold>\n                  <\/jats:p>","DOI":"10.1007\/s10822-023-00535-z","type":"journal-article","created":{"date-parts":[[2023,10,5]],"date-time":"2023-10-05T09:01:35Z","timestamp":1696496495000},"page":"721-733","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Mur ligase F as a new target for the flavonoids quercitrin, myricetin, and (\u2013)-epicatechin"],"prefix":"10.1007","volume":"37","author":[{"given":"Martina Hrast","family":"Rambaher","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Irena","family":"Zdovc","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nina Ko\u010devar","family":"Glava\u010d","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9678-3083","authenticated-orcid":false,"given":"Stanislav","family":"Gobec","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0956-5537","authenticated-orcid":false,"given":"Rok","family":"Frlan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2023,10,5]]},"reference":[{"key":"535_CR1","doi-asserted-by":"publisher","first-page":"134","DOI":"10.3389\/fmicb.2010.00134","volume":"1","author":"RI Aminov","year":"2010","unstructured":"Aminov RI (2010) A brief history of the antibiotic era: lessons learned and challenges for the future. 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