{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T05:28:59Z","timestamp":1777526939168,"version":"3.51.4"},"reference-count":29,"publisher":"Oxford University Press (OUP)","issue":"4","license":[{"start":{"date-parts":[[2018,7,25]],"date-time":"2018-07-25T00:00:00Z","timestamp":1532476800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"name":"Doctorats Industrials"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,2,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>More than 150 peptide therapeutics are globally in clinical development. Many enzymatic barriers should be crossed by a successful drug to be prosperous in such a process. Therefore, the new peptide drugs must be designed preventing the potential protease cleavage to make the compound less susceptible to protease reaction. We present a new data analysis tool developed in WebMetabase, an approach that stores the information from liquid chromatography mass spectrometry-based experimental data or from external sources such as the MEROPS database. The tool is a chemically aware system where each peptide substrate is presented as a sequence of structural blocks (SBs) connected by amide bonds and not being limited to the natural amino acids. Each SB is characterized by its pharmacophoric and physicochemical properties including a similarity score that describes likelihood between a SB and each one of the other SBs in the database. This methodology can be used to perform a frequency analysis to discover the most frequent cleavage sites for similar amide bonds, defined based on the similarity of the SB that participate in such a bond within the experimentally derived and\/or public database.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>http:\/\/webmetabase.com:8182\/WebMetabaseBioinformatics\/<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/bty667","type":"journal-article","created":{"date-parts":[[2018,7,24]],"date-time":"2018-07-24T22:37:59Z","timestamp":1532471879000},"page":"650-655","source":"Crossref","is-referenced-by-count":6,"title":["WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source"],"prefix":"10.1093","volume":"35","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4962-7229","authenticated-orcid":false,"given":"Tatiana","family":"Radchenko","sequence":"first","affiliation":[{"name":"Pompeu Fabra University, Barcelona, Spain"},{"name":"Lead Molecular Design, S.L., Sant Cugat del Vall\u00e9s, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fabien","family":"Fontaine","sequence":"additional","affiliation":[{"name":"Lead Molecular Design, S.L., Sant Cugat del Vall\u00e9s, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Luca","family":"Morettoni","sequence":"additional","affiliation":[{"name":"Molecular Discovery Ltd, London, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ismael","family":"Zamora","sequence":"additional","affiliation":[{"name":"Pompeu Fabra University, Barcelona, Spain"},{"name":"Lead Molecular Design, S.L., Sant Cugat del Vall\u00e9s, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2018,7,25]]},"reference":[{"key":"2023051511005885700_bty667-B1","doi-asserted-by":"crossref","first-page":"1313","DOI":"10.1021\/ci049626p","article-title":"Virtual screening and scaffold hopping based on GRID molecular interaction fields","volume":"45","author":"Ahlstrom","year":"2005","journal-title":"J. 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