{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T07:27:36Z","timestamp":1777274856594,"version":"3.51.4"},"reference-count":37,"publisher":"Bentham Science Publishers Ltd.","issue":"2","content-domain":{"domain":["eurekaselect.com"],"crossmark-restriction":true},"short-container-title":["CAD"],"published-print":{"date-parts":[[2021,4]]},"abstract":"<jats:sec>\n<jats:title>Background:<\/jats:title>\n<jats:p>Considering the interesting role in the peptidoglycan biosynthesis pathway,\nthe enzyme UDP-N-acetylglucosamine enolpyruvyl transferase is an attractive target to develop\nnew antibacterial agents. It catalyzes the first key step of this pathway and its inhibition leads to\nbacterial cell death. Fosfomycin is known as the natural inhibitor of MurA.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Objective:<\/jats:title>\n<jats:p>The study aimed to introduce new inhibitors of MurA by virtual screening of different\nchemical compounds libraries, and test the best scored \u201cvirtual hits\u201d against three pathogenic bacteria:\nEscherichia coli, Bacillus subtilis and Staphylococcus aureus.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Methods:<\/jats:title>\n<jats:p>A virtual screening of the structural analogues of fosfomycin downloaded from the Pub-\nChem database was performed. Moreover, French National Chemical Library and ZINC database\nwere also utilized to identify new structures different from fosfomycin. FlexX was the software used\nfor this study. The antibacterial testing was divided into two methods: disk diffusion and broth dilution.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Results:<\/jats:title>\n<jats:p>A set of virtual hits was found to have better energy score than that of fosfomycin, seven\nof them were tested in vitro. In addition, the disk diffusion method explored four compounds that\nexhibited antibacterial activity: CID-21680357 (fosfomycin analogue), AB-00005001,\nZINC04658565, and ZINC901335. The testing was continued by broth dilution method for both\ncompounds CID-21680357 and ZINC901335 to determine their minimum inhibitory concentrations,\nand ZINC901335 had the best value with 457\u03bcg\/ml against Staphylococcus aureus.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Conclusion:<\/jats:title>\n<jats:p>Four compounds were found and proven in silico and in vitro to have antibacterial activity: CID-21680357, AB-00005001, ZINC04658565, and ZINC901335.<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/1573409916666200213124929","type":"journal-article","created":{"date-parts":[[2020,2,13]],"date-time":"2020-02-13T16:35:01Z","timestamp":1581611701000},"page":"214-224","update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["Investigation of New Inhibitors of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) by Virtual Screening with Antibacterial Assessment"],"prefix":"10.2174","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6851-5834","authenticated-orcid":true,"given":"Ilham","family":"Boulhissa","sequence":"first","affiliation":[{"name":"Laboratory of Applied Biochemistry, Department of Biochemistry and Cellular and Molecular Biology, Faculty of Natural and Life Sciences, University of Mentouri Brothers Constantine 1, Constantine,Algeria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8850-8500","authenticated-orcid":true,"given":"Abdelouahab","family":"Chikhi","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Biochemistry, Department of Biochemistry and Cellular and Molecular Biology, Faculty of Natural and Life Sciences, University of Mentouri Brothers Constantine 1, Constantine,Algeria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3467-6749","authenticated-orcid":true,"given":"Abderrahmane","family":"Bensegueni","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Biochemistry, Department of Biochemistry and Cellular and Molecular Biology, Faculty of Natural and Life Sciences, University of Mentouri Brothers Constantine 1, Constantine,Algeria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2240-8037","authenticated-orcid":true,"given":"Mohammad A.","family":"Ghattas","sequence":"additional","affiliation":[{"name":"College of Pharmacy, Al Ain University of Science and Technology, Al Ain,United Arab Emirates"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2725-2940","authenticated-orcid":true,"given":"El H.","family":"Mokrani","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Biochemistry, Department of Biochemistry and Cellular and Molecular Biology, Faculty of Natural and Life Sciences, University of Mentouri Brothers Constantine 1, Constantine,Algeria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1347-5251","authenticated-orcid":true,"given":"Sara","family":"Alrawashdeh","sequence":"additional","affiliation":[{"name":"College of Pharmacy, Al Ain University of Science and Technology, Al Ain,United Arab Emirates"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4748-9697","authenticated-orcid":true,"given":"Dana E.E.","family":"Obaid","sequence":"additional","affiliation":[{"name":"College of Pharmacy, Al Ain University of Science and Technology, Al Ain,United Arab Emirates"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"965","reference":[{"key":"ref=1","doi-asserted-by":"publisher","first-page":"1031","DOI":"10.1016\/S1359-6446(05)03524-5","volume":"10","author":"Schmid E.F.","year":"2005","unstructured":"Schmid E.F.; Smith D.A.; Keynote review: is declining innovation in the pharmaceutical industry a myth? 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