{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T16:09:03Z","timestamp":1784304543120,"version":"3.55.0"},"reference-count":79,"publisher":"MDPI AG","issue":"22","license":[{"start":{"date-parts":[[2021,11,16]],"date-time":"2021-11-16T00:00:00Z","timestamp":1637020800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The interaction between sertraline hydrochloride (SRT) and randomly methylated \u03b2-cyclodextrin (RM\u03b2CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used\u2014Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (\u0394H), the entropy (\u0394S) and the Gibbs free energy (\u0394G) of binding for the examined system. Moreover, the stoichiometry coefficient of binding (n) and binding\/association constant (K) value have been calculated from the experimental results. The obtained outcome was compared with the data from the literature for other non-ionic \u03b2CD derivatives interacting with SRT and the enthalpy-entropy compensation were observed and interpreted. Furthermore, the connection of RM\u03b2CD with SRT was characterized by circular dichroism spectroscopy (CD) and complexes of \u03b2CD derivatives with SRT were characterized through the computational studies with the use of molecular docking (MD).<\/jats:p>","DOI":"10.3390\/ijms222212357","type":"journal-article","created":{"date-parts":[[2021,11,16]],"date-time":"2021-11-16T11:32:03Z","timestamp":1637062323000},"page":"12357","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated \u03b2-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results"],"prefix":"10.3390","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2824-2733","authenticated-orcid":false,"given":"Sylwia","family":"Belica-Pacha","sequence":"first","affiliation":[{"name":"Unit of Biophysical Chemistry, Department of Physical Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 165, 90-236 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3367-6491","authenticated-orcid":false,"given":"Mateusz","family":"Da\u015bko","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11\/12, 80-233 Gdansk, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vyacheslav","family":"Buko","sequence":"additional","affiliation":[{"name":"Division of Biochemical Pharmacology, Institute of Biochemistry of Biologically Active Compounds, National Academy of Sciences, BLK-50, 230030 Grodno, Belarus"},{"name":"Department of Biotechnology, School of Medical Sciences, Krakowska 9, 15-875 Bialystok, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ilya","family":"Zavodnik","sequence":"additional","affiliation":[{"name":"Division of Biochemical Pharmacology, Institute of Biochemistry of Biologically Active Compounds, National Academy of Sciences, BLK-50, 230030 Grodno, Belarus"},{"name":"Department of Biochemistry, Yanka Kupala Grodno State University, BLK-50, 230030 Grodno, Belarus"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4050-2756","authenticated-orcid":false,"given":"Katarzyna","family":"Mi\u0142owska","sequence":"additional","affiliation":[{"name":"Department of General Biophysics, Faculty of Biology and Environmental Protection, University of Lodz, Pomorska 141\/143, 90-236 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4676-3743","authenticated-orcid":false,"given":"Maria","family":"Bryszewska","sequence":"additional","affiliation":[{"name":"Department of General Biophysics, Faculty of Biology and Environmental Protection, University of Lodz, Pomorska 141\/143, 90-236 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,11,16]]},"reference":[{"key":"ref_1","first-page":"391","article-title":"Cyclodextrins","volume":"8","author":"Szejtli","year":"1983","journal-title":"Drugs Future"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"118011","DOI":"10.1016\/j.carbpol.2021.118011","article-title":"Sulfobutylether-beta-cyclodextrin-enabled antiviral remdesivir: Characterization of electrospun- and lyophilized formulations","volume":"264","author":"Szente","year":"2021","journal-title":"Carbohydr. 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