{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,14]],"date-time":"2026-01-14T14:30:16Z","timestamp":1768401016419,"version":"3.49.0"},"reference-count":26,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2014,1,29]],"date-time":"2014-01-29T00:00:00Z","timestamp":1390953600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>In the present work, the knowledge on target proteins of standard antibiotics was extended to antimicrobial mushroom compounds. Docking studies were performed for  34 compounds in order to evaluate their affinity to bacterial proteins that are known targets for some antibiotics with different mechanism of action: inhibitors of cell wall synthesis, inhibitors of protein synthesis, inhibitors of nucleic acids synthesis and antimetabolites. After validation of the molecular docking approach, virtual screening of all the compounds was performed against penicillin binding protein 1a (PBP1a), alanine racemase (Alr),  d-alanyl-d-alanine synthetase (Ddl), isoleucyl-tRNA sinthetase (IARS), DNA gyrase subunit B, topoisomerase IV (TopoIV), dihydropteroate synthetase (DHPS) and dihydrofolate reductase (DHFR) using AutoDock4. Overall, it seems that for the selected mushroom compounds (namely, enokipodins, ganomycins and austrocortiluteins) the main mechanism of the action is the inhibition of cell wall synthesis, being Alr and Ddl probable protein targets.<\/jats:p>","DOI":"10.3390\/molecules19021672","type":"journal-article","created":{"date-parts":[[2014,1,29]],"date-time":"2014-01-29T11:16:56Z","timestamp":1390994216000},"page":"1672-1684","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":62,"title":["Docking Studies in Target Proteins Involved in Antibacterial Action Mechanisms: Extending the Knowledge on Standard Antibiotics to Antimicrobial Mushroom Compounds"],"prefix":"10.3390","volume":"19","author":[{"given":"Maria","family":"Alves","sequence":"first","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o de Montanha (CIMO), ESA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172, Bragan\u00e7a 5301-855, Portugal"},{"name":"CBQF-Escola Superior de Biotecnologia \u2014 Universidade Cat\u00f3lica Portuguesa Porto, Rua Dr. Ant\u00f3nio Bernardino de Almeida, Porto 4200-072, Portugal"},{"name":"Centro Hospitalar de Tr\u00e1s-os-Montes e Alto Douro- Unidade de Chaves, Av. Dr. Francisco S\u00e1 Carneiro, Chaves 5400-249, Portugal"},{"name":"ESSA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172,  Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Hugo","family":"Froufe","sequence":"additional","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o de Montanha (CIMO), ESA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172, Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Ana","family":"Costa","sequence":"additional","affiliation":[{"name":"ESSA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172,  Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Anabela","family":"Santos","sequence":"additional","affiliation":[{"name":"ESSA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172,  Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Liliana","family":"Oliveira","sequence":"additional","affiliation":[{"name":"ESSA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172,  Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Sara","family":"Os\u00f3rio","sequence":"additional","affiliation":[{"name":"ESSA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172,  Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Rui","family":"Abreu","sequence":"additional","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o de Montanha (CIMO), ESA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172, Bragan\u00e7a 5301-855, Portugal"}]},{"given":"Manuela","family":"Pintado","sequence":"additional","affiliation":[{"name":"CBQF-Escola Superior de Biotecnologia \u2014 Universidade Cat\u00f3lica Portuguesa Porto, Rua Dr. Ant\u00f3nio Bernardino de Almeida, Porto 4200-072, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4910-4882","authenticated-orcid":false,"given":"Isabel","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o de Montanha (CIMO), ESA, Instituto Polit\u00e9cnico de Bragan\u00e7a, Campus de Santa Apol\u00f3nia, Apartado 1172, Bragan\u00e7a 5301-855, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2014,1,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"S3","DOI":"10.1016\/j.amjmed.2006.03.011","article-title":"Mechanisms of antimicrobial resistance in bacteria","volume":"119","author":"Tenover","year":"2006","journal-title":"Am. 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