{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T17:31:59Z","timestamp":1791653519735,"version":"4.3.4"},"reference-count":55,"publisher":"MDPI AG","issue":"13","license":[{"start":{"date-parts":[[2022,6,21]],"date-time":"2022-06-21T00:00:00Z","timestamp":1655769600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004569","name":"Ministry of Science and Higher Education","doi-asserted-by":"publisher","award":["ST3 02-0003\/07\/518"],"award-info":[{"award-number":["ST3 02-0003\/07\/518"]}],"id":[{"id":"10.13039\/501100004569","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Sulfonamides are a classic group of chemotherapeutic drugs with a broad spectrum of pharmacological action, including anticancer activity. In this work, reversed-phase high-performance liquid chromatography and biomimetic chromatography were applied to characterize the lipophilicity of sulfonamide derivatives with proven anticancer activities against human colon cancer. Chromatographically determined lipophilicity parameters were compared with obtained logP, employing various computational approaches. Similarities and dissimilarities between experimental and computational logP were studied using principal component analysis, cluster analysis, and the sum of ranking differences. Furthermore, quantitative structure\u2013retention relationship modeling was applied to understand the influences of sulfonamide\u2019s molecular properties on lipophilicity and affinity to phospholipids.<\/jats:p>","DOI":"10.3390\/molecules27133965","type":"journal-article","created":{"date-parts":[[2022,6,22]],"date-time":"2022-06-22T04:12:01Z","timestamp":1655871121000},"page":"3965","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Modeling of Anticancer Sulfonamide Derivatives Lipophilicity by Chemometric and Quantitative Structure-Retention Relationships Approaches"],"prefix":"10.3390","volume":"27","author":[{"given":"Monika","family":"Pastewska","sequence":"first","affiliation":[{"name":"Department of Physical Chemistry, Medical University of Gda\u0144sk, Al. Gen. 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Hallera 107, 80-416 Gda\u0144sk, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maciej","family":"Gromelski","sequence":"additional","affiliation":[{"name":"QSAR Lab Ltd., Trzy Lipy 3 St., 80-172 Gda\u0144sk, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Filip","family":"Stoli\u0144ski","sequence":"additional","affiliation":[{"name":"QSAR Lab Ltd., Trzy Lipy 3 St., 80-172 Gda\u0144sk, Poland"},{"name":"Laboratory of Environmental Chemoinformatics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2794-5031","authenticated-orcid":false,"given":"Jaros\u0142aw","family":"S\u0142awi\u0144ski","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, Medical University of Gda\u0144sk, Al. Gen. 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