{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T05:02:00Z","timestamp":1787029320929,"version":"build-2736575974"},"reference-count":60,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T00:00:00Z","timestamp":1780531200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ministry of Science, Technological Development, and Innovation","award":["451-03-33\/2026-03\/200007"],"award-info":[{"award-number":["451-03-33\/2026-03\/200007"]}]},{"award":["451-03-33\/2026-03\/200007"],"award-info":[{"award-number":["451-03-33\/2026-03\/200007"]}],"id":[{"id":"https:\/\/ror.org\/01znas443","id-type":"ROR","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Plants"],"abstract":"<jats:p>The valorization of post-distillation by-products represents a key strategy within circular economy frameworks, particularly for medicinal and aromatic plants of the Lamiaceae family. This study investigates, for the first time, the chemical composition and biological potential of the liquid residue obtained after hydrodistillation of Clinopodium albanicum (Griseb. ex K.Mal\u00fd) Melnikov, an endemic Balkan species. Untargeted LC\u2013HRMS\/MS analysis revealed a complex metabolomic profile dominated by hydroxycinnamic acid derivatives, including caffeoylquinic acids, alongside a diverse flavonoid fraction comprising quercetin, kaempferol, apigenin, and acacetin derivatives. The presence of sugars and organic acids further indicated a broad metabolic composition. The evaporated liquid residual extract exhibited strong antioxidant activity (DPPH: 32.54, ABTS: 27.80, FRAP: 35.95 mmol GAE\/100 mg). Pronounced antibacterial activity was observed against both Gram-positive and Gram-negative bacteria, including Staphylococcus aureus, MRSA, Listeria monocytogenes, Escherichia coli, and Pseudomonas aeruginosa (MICs 0.5\u20131 mg\/mL). Additionally, the extract demonstrated antifungal activity against Candida auris and Candida parapsilosis, as well as strong antibiofilm effects against P. aeruginosa (up to 95.52% inhibition). Molecular docking supported these findings, revealing strong binding affinities of key phenolics toward the bacterial targets FabI and D-Ala-D-Ala ligase. Overall, the results highlight the potential of this by-product for nutraceutical and pharmaceutical applications.<\/jats:p>","DOI":"10.3390\/plants15111748","type":"journal-article","created":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T17:11:04Z","timestamp":1780593064000},"page":"1748","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Bioactive Potential of Post-Distillation Residue of Clinopodium albanicum (Griseb. ex K. Mal\u00fd) Melnikov: Phytochemical Profiling, Antioxidant and Antimicrobial Activities with Molecular Docking Insights"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4159-1471","authenticated-orcid":false,"given":"Dejan","family":"Stojkovi\u0107","sequence":"first","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8755-4361","authenticated-orcid":false,"given":"Jelena","family":"Bo\u017eunovi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6639-5760","authenticated-orcid":false,"given":"Biljana","family":"Filipovi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sergey","family":"Bolevich","sequence":"additional","affiliation":[{"name":"Department of Pathologic Physiology, First Moscow State Medical University I.M. Sechenov (Sechenov University), Trubetskaya Street, House 8, Building 2, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikoleta","family":"Premovi\u0107 Valente","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2480-5490","authenticated-orcid":false,"given":"Marija","family":"Ivanov","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1228-7198","authenticated-orcid":false,"given":"Mladen","family":"Rajakovi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6548-7823","authenticated-orcid":false,"given":"Gokhan","family":"Zengin","sequence":"additional","affiliation":[{"name":"Department of Biology, Science Faculty, Selcuk University, Konya 42130, T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0853-108X","authenticated-orcid":false,"given":"Abdullahi Ibrahim","family":"Uba","sequence":"additional","affiliation":[{"name":"Department of Biostatistics and Medical Informatics, Faculty of Medicine, \u0130stinye University, Istanbul 34396, T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefani","family":"Bolevich","sequence":"additional","affiliation":[{"name":"Department of Pathologic Physiology, First Moscow State Medical University I.M. Sechenov (Sechenov University), Trubetskaya Street, House 8, Building 2, 119991 Moscow, Russia"},{"name":"Department of Pharmacology, First Moscow State Medical University I.M. Sechenov (Sechenov University), Trubetskaya Street, House 8, Building 2, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5384-8396","authenticated-orcid":false,"given":"Uro\u0161","family":"Ga\u0161i\u0107","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7381-756X","authenticated-orcid":false,"given":"Marina","family":"Sokovi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Biological Research \u201cSini\u0161a Stankovi\u0107\u201d\u2014National Institute of the Republic of Serbia, University of Belgrade, Bulevar despota Stefana 142, 11108 Belgrade, Serbia"},{"name":"Department of Pathologic Physiology, First Moscow State Medical University I.M. Sechenov (Sechenov University), Trubetskaya Street, House 8, Building 2, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,6,4]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1837","DOI":"10.1007\/s12649-025-03173-8","article-title":"Valorization of Aromatic Plant Distillation By-Products (Solid Biomass, Wastewater, and Aromatic Water): Case Study on the Lamiaceae Family","volume":"17","author":"Zakarya","year":"2025","journal-title":"Waste Biomass Valorization"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Luca, S.V., Zengin, G., Sinan, K.I., Skalicka-Wo\u017aniak, K., and Trifan, A. (2023). Post-Distillation By-Products of Aromatic Plants from Lamiaceae Family as Rich Sources of Antioxidants and Enzyme Inhibitors. Antioxidants, 12.","DOI":"10.3390\/antiox12010210"},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"A\u0107imovi\u0107, M., Leovac Ma\u0107erak, A., Pavli\u0107, B., Sikora, V., Zeremski, T., Erceg, T., and Djatkov, D. (2026). Green Innovation for Solid Post-Distillation Residues Valorization: Narrative Review of Circular Bio-Economy Solutions. Processes, 14.","DOI":"10.3390\/pr14020244"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"100065","DOI":"10.1016\/j.focha.2022.100065","article-title":"Phenolic Extracts from Solid Wastes of the Aromatic Plant Essential Oil Industry: Potential Uses in Food Applications","volume":"1","author":"Skendi","year":"2022","journal-title":"Food Chem. Adv."},{"key":"ref_5","doi-asserted-by":"crossref","unstructured":"Bouloumpasi, E., Hatzikamari, M., Christaki, S., Lazaridou, A., Chatzopoulou, P., Biliaderis, C.G., and Irakli, M. (2024). Assessment of Antioxidant and Antibacterial Potential of Phenolic Extracts from Post-Distillation Solid Residues of Oregano, Rosemary, Sage, Lemon Balm, and Spearmint. Processes, 12.","DOI":"10.3390\/pr12010140"},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Li, W., Pan, J., Chen, X., Guo, S., and Ouyang, X. (2025). The Chemical Composition, Pharmacological Activity, Quality Control, Toxicity, and Pharmacokinetics of the Genus Clinopodium L. Molecules, 30.","DOI":"10.3390\/molecules30112425"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"977","DOI":"10.2307\/25065692","article-title":"New Names in Old World Clinopodium\u2014The Transfer of the Species of Micromeria Sect. Pseudomelissa to Clinopodium","volume":"55","author":"Meimberg","year":"2006","journal-title":"Taxon"},{"key":"ref_8","doi-asserted-by":"crossref","unstructured":"Jankovi\u0107, S., Dodo\u0161, T., Marin, P.D., Obradovi\u0107 Novakovi\u0107, J., and Raj\u010devi\u0107, N. (2025). Molecular Diversification of the Genus Clinopodium (Lamiaceae) from the Balkans with an Emphasis on the Transferred Groups Calamintha, Acinos, and the Sect. Pseudomelissa. Plants, 14.","DOI":"10.3390\/plants14182940"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"120951","DOI":"10.1016\/j.jep.2025.120951","article-title":"Antinociceptive Efficacy, Chemistry, Potential Toxicity, and Quality Control Procedures of Clinopodium Macrostemum and Clinopodium Mexicanum: A Comparative Analysis","volume":"357","author":"Cristians","year":"2026","journal-title":"J. Ethnopharmacol."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"336","DOI":"10.1002\/ptr.893","article-title":"Activity of Essential Oils of Three Micromeria Species (Lamiaceae) against Micromycetes and Bacteria","volume":"16","author":"Marin","year":"2002","journal-title":"Phyther. Res."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"123","DOI":"10.20903\/csnmbs.masa.2018.39.2.124","article-title":"CLINOPODIUM ALBANICUM (GRISEB. Ex K. MAL\u00dd) MELNIKOV NEW SPECIES FOR THE FLORA OF THE REPUBLIC OF MACEDONIA","volume":"39","author":"Matevski","year":"2018","journal-title":"Contrib. Sect. Nat. Math. Biotech. Sci."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1080\/10412905.1999.9712021","article-title":"Chemical Composition of the Essential Oil of Micromeria Albanica (Griseb. Ex K. Maly) Silic","volume":"11","author":"Stojanovic","year":"1999","journal-title":"J. Essent. Oil Res."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1016\/0305-1978(91)90088-H","article-title":"Flavonoids from Some Yugoslavian Micromeria Species: Chemotaxonomical Aspects","volume":"19","author":"Gil","year":"1991","journal-title":"Biochem. Syst. Ecol."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1016\/S0031-9422(01)00352-1","article-title":"Acacetin Glycosides as Taxonomic Markers in Calamintha and Micromeria","volume":"58","author":"Marin","year":"2001","journal-title":"Phytochemistry"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1016\/j.sajb.2017.03.013","article-title":"Micromorphological and Phytochemical Traits of Four Clinopodium L. Species (Lamiaceae)","volume":"111","author":"Kremer","year":"2017","journal-title":"S. Afr. J. Bot."},{"key":"ref_16","doi-asserted-by":"crossref","unstructured":"Masala, V., Serreli, G., Laus, A., Deiana, M., Kowalczyk, A., and Tuberoso, C.I.G. (2025). Salvia Desoleana Atzei et Picci Steam-Distillation Water By-Products as a Source of Bioactive Compounds with Antioxidant Activities. Foods, 14.","DOI":"10.3390\/foods14132365"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/j.foodchem.2018.11.144","article-title":"Untargeted Metabolite Profiling and Phytochemical Analysis of Micromeria fruticosa L. (Lamiaceae) Leaves","volume":"279","author":"Warad","year":"2019","journal-title":"Food Chem."},{"key":"ref_18","doi-asserted-by":"crossref","unstructured":"Apostolova, E., Stavrakeva, K., Kokova, V., Dimov, I., Choneva, M., Delev, D., Kostadinov, I., Bivolarski, I., Koleva, M., and Mladenova, T. (2025). Subchronic Toxicity and Effect of the Methanolic Extract of Micromeria Frivaldszkyana (Degen) Velen on Cognition in Male Wistar Rats. Plants, 14.","DOI":"10.3390\/plants14121837"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"126930","DOI":"10.1016\/j.foodchem.2020.126930","article-title":"LC-MS\/MS Profiles and Interrelationships between the Enzyme Inhibition Activity, Total Phenolic Content and Antioxidant Potential of Micromeria Nervosa Extracts","volume":"328","author":"Sarikurkcu","year":"2020","journal-title":"Food Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"e202403258","DOI":"10.1002\/cbdv.202403258","article-title":"Metabolite Profiling and Toxicity, Antioxidant, and Antitumor Evaluation of Micromeria Biflora Aerial Parts Extract Combined with ADMET Prediction and Molecular Docking Analysis","volume":"22","author":"Abdelkhalek","year":"2025","journal-title":"Chem. Biodivers."},{"key":"ref_21","doi-asserted-by":"crossref","unstructured":"Khojasteh, A., Mirjalili, M.H., Alcalde, M.A., Cusido, R.M., Eibl, R., and Palazon, J. (2020). Powerful Plant Antioxidants: A New Biosustainable Approach to the Production of Rosmarinic Acid. Antioxidants, 9.","DOI":"10.3390\/antiox9121273"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"985","DOI":"10.1016\/j.jfda.2017.11.011","article-title":"4-O-Caffeoylquinic Acid as an Antioxidant Marker for Mulberry Leaves Rich in Phenolic Compounds","volume":"26","author":"Ganzon","year":"2018","journal-title":"J. Food Drug Anal."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"7543","DOI":"10.1038\/s41598-017-08024-8","article-title":"Antioxidant Activity of Quercetin and Its Glucosides from Propolis: A Theoretical Study","volume":"7","author":"Zheng","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"554","DOI":"10.1080\/10412905.2024.2371829","article-title":"Study of Essential Oils and Hydroalcoholic Extracts Obtained from Clinopodium vimineum (Lamiaceae), According to Its Different Phenological Stages","volume":"36","author":"Sierra","year":"2024","journal-title":"J. Essent. Oil Res."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"e202101002","DOI":"10.1002\/cbdv.202101002","article-title":"Polyphenol Composition, Anticholinesterase and Antioxidant Potential of the Extracts of Clinopodium Vulgare L","volume":"19","author":"Politeo","year":"2022","journal-title":"Chem. Biodivers."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"1454","DOI":"10.3390\/molecules16021454","article-title":"Antioxidant Activities and Polyphenolic Contents of Three Selected Micromeria Species from Croatia","volume":"16","author":"Alegro","year":"2011","journal-title":"Molecules"},{"key":"ref_27","first-page":"1903","article-title":"Micromeria Thymifolia Essential Oil Suppresses Quorum-Sensing Signaling in Pseudomonas Aeruginosa","volume":"11","author":"Vannini","year":"2016","journal-title":"Nat. Prod. Commun."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"4851879","DOI":"10.1155\/2020\/4851879","article-title":"Screening of Antioxidant and Antimicrobial Activity of Micromeria Fruticosa Serpyllifolia Volatile Oils: A Comparative Study of Plants Collected from Different Regions of West Bank, Palestine","volume":"2020","author":"Salameh","year":"2020","journal-title":"BioMed Res. Int."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/j.jep.2004.03.053","article-title":"The Constituents of Essential Oil and in Vitro Antimicrobial Activity of Micromeria Cilicica from Turkey","volume":"94","author":"Duru","year":"2004","journal-title":"J. Ethnopharmacol."},{"key":"ref_30","doi-asserted-by":"crossref","unstructured":"Parker, R.A., Gabriel, K.T., Graham, K.D., Butts, B.K., and Cornelison, C.T. (2022). Antifungal Activity of Select Essential Oils against Candida Auris and Their Interactions with Antifungal Drugs. Pathogens, 11.","DOI":"10.3390\/pathogens11080821"},{"key":"ref_31","first-page":"29","article-title":"Antimicrobial Activity of the Essential Oil of Wild-Growing Micromeria Thymifolia (Scop.) Fritsch","volume":"4","author":"Marin","year":"2015","journal-title":"J. Biosci. Biotechnol."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"5","DOI":"10.54729\/2789-8288.1130","article-title":"GENUS MICROMERIA: A REVIEW ARTICLE","volume":"3","author":"Hamwi","year":"2021","journal-title":"BAU J.\u2014Health Wellbeing"},{"key":"ref_33","doi-asserted-by":"crossref","unstructured":"Slobodn\u00edkov\u00e1, L., Fialov\u00e1, S., Rendekov\u00e1, K., Kov\u00e1\u010d, J., and Mu\u010daji, P. (2016). Antibiofilm Activity of Plant Polyphenols. Molecules, 21.","DOI":"10.3390\/molecules21121717"},{"key":"ref_34","doi-asserted-by":"crossref","unstructured":"Essid, R., Kefi, S., Damergi, B., Abid, G., Fares, N., Jallouli, S., Abid, I., Hussein, D., Tabbene, O., and Limam, F. (2024). Promising Antileishmanial Activity of Micromeria Nervosa Essential Oil: In Vitro and In Silico Studies. Molecules, 29.","DOI":"10.3390\/molecules29081876"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1111\/j.1574-6976.2007.00095.x","article-title":"Penicillin-Binding Proteins and \u03b2-Lactam Resistance","volume":"32","author":"Zapun","year":"2008","journal-title":"FEMS Microbiol. Rev."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"234","DOI":"10.1111\/j.1574-6976.2008.00105.x","article-title":"The Penicillin-Binding Proteins: Structure and Role in Peptidoglycan Biosynthesis","volume":"32","author":"Sauvage","year":"2008","journal-title":"FEMS Microbiol. Rev."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"1657","DOI":"10.1177\/15353702231208407","article-title":"Penicillin-Binding Protein (PBP) Inhibitor Development: A 10-Year Chemical Perspective","volume":"248","author":"Bertonha","year":"2023","journal-title":"Exp. Biol. Med."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"5061","DOI":"10.1021\/jm100112j","article-title":"A Medicinal Chemist\u2019s Guide to Molecular Interactions","volume":"53","author":"Bissantz","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1002\/bkcs.10084","article-title":"Crystal Structures of Pseudomonas aeruginosa Enoyl-ACP Reductase (FabI) in the Presence and Absence of NAD+ and Triclosan","volume":"36","author":"Lee","year":"2015","journal-title":"Bull. Korean Chem. Soc."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"3597","DOI":"10.1128\/IAI.00647-16","article-title":"Enoyl-Acyl Carrier Protein Reductase I (FabI) Is Essential for the Intracellular Growth of Listeria Monocytogenes","volume":"84","author":"Yao","year":"2016","journal-title":"Infect. Immun."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"3507","DOI":"10.1128\/AAC.00144-13","article-title":"Crystal Structures of Bifunctional Penicillin-Binding Protein 4 from Listeria Monocytogenes","volume":"57","author":"Jeong","year":"2013","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_42","doi-asserted-by":"crossref","unstructured":"Hopf, F.S.M., Roth, C.D., de Souza, E.V., Galina, L., Czeczot, A.M., Machado, P., Basso, L.A., and Bizarro, C.V. (2022). Bacterial Enoyl-Reductases: The Ever-Growing List of Fabs, Their Mechanisms and Inhibition. Front. Microbiol., 13.","DOI":"10.3389\/fmicb.2022.891610"},{"key":"ref_43","doi-asserted-by":"crossref","unstructured":"Du, X., Li, Y., Xia, Y.L., Ai, S.M., Liang, J., Sang, P., Ji, X.L., and Liu, S.Q. (2016). Insights into Protein\u2013Ligand Interactions: Mechanisms, Models, and Methods. Int. J. Mol. Sci., 17.","DOI":"10.3390\/ijms17020144"},{"key":"ref_44","doi-asserted-by":"crossref","unstructured":"Wr\u00f3bel, A., Baradyn, M., Ratkiewicz, A., and Drozdowska, D. (2021). Synthesis, Biological Activity, and Molecular Dynamics Study of Novel Series of a Trimethoprim Analogs as Multi-targeted Compounds: Dihydrofolate Reductase (Dhfr) Inhibitors and Dna-binding Agents. Int. J. Mol. Sci., 22.","DOI":"10.3390\/ijms22073685"},{"key":"ref_45","doi-asserted-by":"crossref","unstructured":"Young, M., Walsh, D.J., Masters, E., Gondil, V.S., Laskey, E., Klaczko, M., Awad, H., McGrath, J., Schwarz, E.M., and Melander, C. (2022). Identification of Staphylococcus Aureus Penicillin Binding Protein 4 (PBP4) Inhibitors. Antibiotics, 11.","DOI":"10.3390\/antibiotics11101351"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"19854","DOI":"10.1074\/jbc.RA118.004952","article-title":"Structural and Kinetic Analyses of Penicillin-Binding Protein 4 (PBP4)-Mediated Antibiotic Resistance in Staphylococcus Aureus","volume":"293","author":"Alexander","year":"2018","journal-title":"J. Biol. Chem."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"7894","DOI":"10.1074\/jbc.RA120.012936","article-title":"D-Alanine\u2013d-Alanine Ligase as a Model for the Activation of ATP-Grasp Enzymes by Monovalent Cations","volume":"295","author":"Pederick","year":"2020","journal-title":"J. Biol. Chem."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"8351","DOI":"10.1074\/jbc.M708684200","article-title":"A Common Mechanism for the ATP-DnaA-Dependent Formation of Open Complexes at the Replication Origin","volume":"283","author":"Ozaki","year":"2008","journal-title":"J. Biol. Chem."},{"key":"ref_49","doi-asserted-by":"crossref","unstructured":"Wong, E.T.C., Na, D., and Gsponer, J. (2013). On the Importance of Polar Interactions for Complexes Containing Intrinsically Disordered Proteins. PLoS Comput. Biol., 9.","DOI":"10.1371\/journal.pcbi.1003192"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"106115","DOI":"10.1016\/j.fitote.2024.106115","article-title":"Chemical Profiling of Anthriscus Cerefolium (L.) Hoffm., Biological Potential of the Herbal Extract, Molecular Modeling and KEGG Pathway Analysis","volume":"177","author":"Uba","year":"2024","journal-title":"Fitoterapia"},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/S0023-6438(95)80008-5","article-title":"Use of a Free Radical Method to Evaluate Antioxidant Activity","volume":"28","author":"Cuvelier","year":"1995","journal-title":"LWT\u2014Food Sci. Technol."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"1231","DOI":"10.1016\/S0891-5849(98)00315-3","article-title":"Antioxidant Activity Applying an Improved ABTS Radical Cation Decolorization Assay","volume":"26","author":"Re","year":"1999","journal-title":"Free Radic. Biol. Med."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1016\/j.foodchem.2013.10.007","article-title":"Centauries as Underestimated Food Additives: Antioxidant and Antimicrobial Potential","volume":"147","author":"Banjanac","year":"2014","journal-title":"Food Chem."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1006\/abio.1996.0292","article-title":"The Ferric Reducing Ability of Plasma (FRAP) as a Measure of \u201cAntioxidant Power\u201d: The FRAP Assay","volume":"76","author":"Benzie","year":"1996","journal-title":"Anal. Biochem."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"2268","DOI":"10.1093\/jac\/dkab201","article-title":"PBP4-Mediated \u03b2-Lactam Resistance among Clinical Strains of Staphylococcus Aureus","volume":"76","author":"Satishkumar","year":"2021","journal-title":"J. Antimicrob. Chemother."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"117509","DOI":"10.1016\/j.bmc.2023.117509","article-title":"Structure-Guided Design and Synthesis of ATP-Competitive N-Acyl-Substituted Sulfamide d-Alanine-d-Alanine Ligase Inhibitors","volume":"96","author":"Becker","year":"2023","journal-title":"Bioorg. Med. Chem."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"226","DOI":"10.1038\/s42003-018-0236-y","article-title":"The Crystal Structure of a Tetrahydrofolate-Bound Dihydrofolate Reductase Reveals the Origin of Slow Product Release","volume":"1","author":"Cao","year":"2018","journal-title":"Commun. Biol."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1038\/384644a0","article-title":"Structural Basis for Selective Inhibition of Cyclooxygenase-2 by Anti-Inflammatory Agents","volume":"384","author":"Kurumbail","year":"1996","journal-title":"Nature"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera\u2014A Visualization System for Exploratory Research and Analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1007\/978-1-59745-177-2_19","article-title":"Molecular Docking","volume":"443","author":"Morris","year":"2008","journal-title":"Methods Mol. Biol."}],"container-title":["Plants"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2223-7747\/15\/11\/1748\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T17:32:29Z","timestamp":1780594349000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2223-7747\/15\/11\/1748"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,4]]},"references-count":60,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2026,6]]}},"alternative-id":["plants15111748"],"URL":"https:\/\/doi.org\/10.3390\/plants15111748","relation":{},"ISSN":["2223-7747"],"issn-type":[{"value":"2223-7747","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,4]]}}}