Weak Interaction of the Antimetabolite Drug Methotrexate with a Cavitand Derivative

Preisz, Zsolt and Nagymihály, Zoltán and Lemli, Beáta and Kollár, László and Kunsági-Máté, Sándor (2020) Weak Interaction of the Antimetabolite Drug Methotrexate with a Cavitand Derivative. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 21 (12). pp. 1-8. ISSN 1661-6596 (print); 1422-0067 (online)

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Formation of inclusion complexes involving a cavitand derivative (as host) and an antimetabolite drug, methotrexate (as guest) was investigated by photoluminescence measurements in dimethyl sulfoxide solvent. Molecular modeling performed in gas phase reflects that, due to the structural reasons, the cavitand can include the methotrexate in two forms: either by its opened structure with free androsta-4-en-3-one-17α-ethinyl arms or by the closed formwhen all the androsta-4-en-3-one-17α-ethinyl arms play role in the complex formation. Experiments reflect enthalpy driven complex formation in higher temperature range while at lower temperature the complexes are stabilized by the entropy gain.

Item Type: Article
Uncontrolled Keywords: methotrexate; antirheumatic; cavitand; inclusion complex; thermodynamics; fluorescence
Subjects: R Medicine / orvostudomány > RS Pharmacy and materia medica / gyógyszerészet, gyógyászati eszközök
Depositing User: Pap Viktória
Date Deposited: 07 Apr 2021 06:48
Last Modified: 03 Apr 2023 07:12

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