{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,21]],"date-time":"2026-08-21T05:24:53Z","timestamp":1787289893196,"version":"build-2736575974"},"reference-count":61,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2024,4,24]],"date-time":"2024-04-24T00:00:00Z","timestamp":1713916800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Hebrew University-YISSUM Internal funds","award":["PL-2014"],"award-info":[{"award-number":["PL-2014"]}]},{"DOI":"10.13039\/501100011085","name":"David R. Bloom Center for Pharmacy","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100011085","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Deutsche Forschungsgemeinschaft (DFG)","award":["446302350"],"award-info":[{"award-number":["446302350"]}]},{"name":"Deutsche Forschungsgemeinschaft (DFG)","award":["SFB1009-A09"],"award-info":[{"award-number":["SFB1009-A09"]}]}],"content-domain":{"domain":["www.mdpi.com"],"crossmark-restriction":true},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>To develop peptide drugs targeting integrin receptors, synthetic peptide ligands endowed with well-defined selective binding motifs are necessary. The snake venom KTS-containing disintegrins, which selectively block collagen \u03b11\u03b21 integrin, were used as lead compounds for the synthesis and structure\u2013activity relationship of a series of linear peptides containing the KTS-pharmacophore and alternating natural amino acids and 3-aminobenzoic acid (MABA). To ensure a better stiffness and metabolic stability, one, two and three MABA residues, were introduced around the KTS pharmacophore motif. Molecular dynamics simulations determined that the solution conformation of MABA peptide 4 is more compact, underwent larger conformational changes until convergence, and spent most of the time in a single cluster. The peptides\u2019 binding affinity has been characterized by an enzyme linked immunosorbent assay in which the most potent peptide 4 inhibited with IC50 of 324 \u00b1 8 \u00b5M and 550 \u00b1 45 \u00b5M the binding of GST-\u03b11-A domain to collagen IV fragment CB3, and the cell adhesion to collagen IV using \u03b11-overexpressor cells, respectively. Docking studies and MM-GBSA calculations confirmed that peptide 4 binds a smaller region of the integrin near the collagen-binding site and penetrated deeper into the binding site near Trp1. Peptide 4 inhibited tube formation by endothelial cell migration in the Matrigel angiogenesis in vitro assay. Peptide 4 was acutely tolerated by mice, showed stability in human serum, decreased tumor volume and angiogenesis, and significantly increased the survival of mice injected with B16 melanoma cells. These findings propose that MABA-peptide 4 can further serve as an \u03b11\u03b21-integrin antagonist lead compound for further drug optimization in angiogenesis and cancer therapy.<\/jats:p>","DOI":"10.3390\/ph17050549","type":"journal-article","created":{"date-parts":[[2024,4,24]],"date-time":"2024-04-24T10:18:36Z","timestamp":1713953916000},"page":"549","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["RETRACTED: Structure\u2013Activity Relationship of Synthetic Linear KTS-Peptides Containing Meta-Aminobenzoic Acid as Antagonists of \u03b11\u03b21 Integrin with Anti-Angiogenic and Melanoma Anti-Tumor Activities"],"prefix":"10.3390","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4695-0653","authenticated-orcid":false,"given":"Majdi","family":"Naamneh","sequence":"first","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tatjana","family":"Momic","sequence":"additional","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"},{"name":"VIN\u010cA Institute of Nuclear Sciences, National Institute of the Republic of Serbia, University of Belgrade, Mike Petrovi\u0107a Alasa 12\u201314, 11000 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michal","family":"Klazas","sequence":"additional","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julius","family":"Grosche","sequence":"additional","affiliation":[{"name":"Institute of Physiological Chemistry and Pathobiochemistry, University of M\u00fcnster, Waldeyer-Str. 15, 48149 M\u00fcnster, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9156-2137","authenticated-orcid":false,"given":"Johannes","family":"Eble","sequence":"additional","affiliation":[{"name":"Institute of Physiological Chemistry and Pathobiochemistry, University of M\u00fcnster, Waldeyer-Str. 15, 48149 M\u00fcnster, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cezary","family":"Marcinkiewicz","sequence":"additional","affiliation":[{"name":"Debina Diagnostics Inc., 33 Bishop Hollow Rd., Newtown Square, PA 19073-3211, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Netaly","family":"Khazanov","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Bar Ilan University, Ramat-Gan 5290002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0076-1355","authenticated-orcid":false,"given":"Hanoch","family":"Senderowitz","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Bar Ilan University, Ramat-Gan 5290002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8893-2483","authenticated-orcid":false,"given":"Amnon","family":"Hoffman","sequence":"additional","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2724-2862","authenticated-orcid":false,"given":"Chaim","family":"Gilon","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jehoshua","family":"Katzhendler","sequence":"additional","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3650-4721","authenticated-orcid":false,"given":"Philip","family":"Lazarovici","sequence":"additional","affiliation":[{"name":"School of Pharmacy Institute for Drug Research, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112002, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,4,24]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1038\/s41556-018-0223-z","article-title":"Integrin trafficking in cells and tissues","volume":"21","author":"Icha","year":"2019","journal-title":"Nat. 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