{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T00:41:36Z","timestamp":1775868096612,"version":"3.50.1"},"reference-count":72,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2025,6,26]],"date-time":"2025-06-26T00:00:00Z","timestamp":1750896000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Higher Education and Science Committee of MESCS RA (Republic of Armenia)","award":["24RL-1D014"],"award-info":[{"award-number":["24RL-1D014"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Biomolecules"],"abstract":"<jats:p>We report on the synthesis and characterization of a novel fluorenyl-methoxycarbonyl (Fmoc)-containing thioxo-triazole-bearing dipeptide 5, evaluated for potential therapeutic applications. The compound was tested for its antioxidant and antimicrobial properties, demonstrating significant effects in scavenging reactive oxygen species (ROS) and inhibiting microbial growth, particularly when combined with plant extracts from an endemic Peonia species from the Caucasus. Circular dichroism (CD) binding studies with bovine serum albumin (BSA) and calf thymus DNA revealed important interactions, suggesting the dipeptide\u2019s potential in biomedically relevant conditions that involve DNA modulation. Molecular docking and CD spectra deconvolution provided additional insights into the binding mechanisms and structural characteristics of the formed complexes with the biomolecular targets. The Fmoc group enhances the dipeptide\u2019s lipophilicity, which may facilitate its interaction with cellular membranes, supporting efficient drug delivery. A computational evaluation at the \u03c9B97XD\/aug-cc-pVDZ level of theory was carried out, confirming the experimental results and revealing a powerful potential of the peptide as an antioxidant, through FMOs, MEP analysis, and antioxidant mechanism assessments. Together, these findings suggest that this dipeptide could be valuable as an antimicrobial and antioxidant agent, with potential applications in pathologies involving oxidative stress, DNA modulation, and microbial infections.<\/jats:p>","DOI":"10.3390\/biom15070933","type":"journal-article","created":{"date-parts":[[2025,7,2]],"date-time":"2025-07-02T07:55:43Z","timestamp":1751442943000},"page":"933","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["The Synthesis, Characterization, and Biological Evaluation of a Fluorenyl-Methoxycarbonyl-Containing Thioxo-Triazole-Bearing Dipeptide: Antioxidant, Antimicrobial, and BSA\/DNA Binding Studies for Potential Therapeutic Applications in ROS Scavenging and Drug Transport"],"prefix":"10.3390","volume":"15","author":[{"given":"Lala","family":"Stepanyan","sequence":"first","affiliation":[{"name":"Scientific and Production Center \u201cArmbiotechnology\u201d NAS RA, 14 Gyurjyan Str., Yerevan 0056, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6275-0665","authenticated-orcid":false,"given":"Tatevik","family":"Sargsyan","sequence":"additional","affiliation":[{"name":"Scientific and Production Center \u201cArmbiotechnology\u201d NAS RA, 14 Gyurjyan Str., Yerevan 0056, Armenia"},{"name":"Institute of Pharmacy, Yerevan State University, 1 Alex Manoogian Str., Yerevan 0025, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9844-8684","authenticated-orcid":false,"given":"Valentina","family":"Mittova","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, University Geomedi, 4 King Solomon II Str., 0114 Tbilisi, Georgia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zurab R.","family":"Tsetskhladze","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, University Geomedi, 4 King Solomon II Str., 0114 Tbilisi, Georgia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nino","family":"Motsonelidze","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, University Geomedi, 4 King Solomon II Str., 0114 Tbilisi, Georgia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ekaterine","family":"Gorgoshidze","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, University Geomedi, 4 King Solomon II Str., 0114 Tbilisi, Georgia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-9514-7685","authenticated-orcid":false,"given":"Niccol\u00f2","family":"Nova","sequence":"additional","affiliation":[{"name":"Department of Chemical Science, Life and Environmental Sustainability, University of Parma, Parco Area delle Scienze 17\/A, 43124 Parma, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Monika","family":"Israyelyan","sequence":"additional","affiliation":[{"name":"Scientific and Production Center \u201cArmbiotechnology\u201d NAS RA, 14 Gyurjyan Str., Yerevan 0056, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hayarpi","family":"Simonyan","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy, Yerevan State University, 1 Alex Manoogian Str., Yerevan 0025, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9165-0356","authenticated-orcid":false,"given":"Franco","family":"Bisceglie","sequence":"additional","affiliation":[{"name":"Department of Chemical Science, Life and Environmental Sustainability, University of Parma, Parco Area delle Scienze 17\/A, 43124 Parma, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7244-184X","authenticated-orcid":false,"given":"Lusine","family":"Sahakyan","sequence":"additional","affiliation":[{"name":"Scientific and Production Center \u201cArmbiotechnology\u201d NAS RA, 14 Gyurjyan Str., Yerevan 0056, Armenia"},{"name":"Institute of Pharmacy, Yerevan State University, 1 Alex Manoogian Str., Yerevan 0025, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Karapet","family":"Ghazaryan","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy, Yerevan State University, 1 Alex Manoogian Str., Yerevan 0025, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Giovanni N.","family":"Roviello","sequence":"additional","affiliation":[{"name":"Institute of Biostructures and Bioimaging (IBB), Italian National Council for Research (CNR), Area di Ricerca Site and Headquarters, Via Pietro Castellino 111, 80131 Naples, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,6,26]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"L\u00f3pez-Garc\u00eda, G., Dublan-Garc\u00eda, O., Arizmendi-Cotero, D., and G\u00f3mez Oliv\u00e1n, L.M. 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