Molecular docking analysis of steroid-based copper transporter 1 inhibitors

Onat Kadioglu, Julianna Serly, Ean Jeong Seo, Irén Vincze, Csaba Somlai, Mohamed E M Saeed, József Molnár, Thomas Efferth

Research output: Article

Abstract

Copper transporter 1 (CTR1) represents an important determinant of cisplatin resistance. A series of 35 semi-substituted steroids were recently investigated on cisplatinresistant CTR1-expressing A2780cis ovarian carcinoma cells as well as their parental sensitive counterparts regarding their cytotoxic and resistance-reversing features. In the present investigation, three compounds (4, 5, 25) were selected for molecular docking analysis on the homology-modelled human CTR1 transmembrane domain. Steroids 4, 5 and 25 interacted with CTR1 at a similar docking pose and with even higher binding affinities than the known CTR1 inhibitor, cimetidine. Applying the defined docking mode, the binding energies were found to be -7.15±

Original languageEnglish
Pages (from-to)6505-6508
Number of pages4
JournalAnticancer Research
Volume35
Issue number12
Publication statusPublished - dec. 1 2015

Fingerprint

Molecular Docking Simulation
Steroids
Cimetidine
Cisplatin
copper transporter 1
Carcinoma

ASJC Scopus subject areas

  • Cancer Research
  • Oncology

Cite this

Kadioglu, O., Serly, J., Seo, E. J., Vincze, I., Somlai, C., Saeed, M. E. M., ... Efferth, T. (2015). Molecular docking analysis of steroid-based copper transporter 1 inhibitors. Anticancer Research, 35(12), 6505-6508.

Molecular docking analysis of steroid-based copper transporter 1 inhibitors. / Kadioglu, Onat; Serly, Julianna; Seo, Ean Jeong; Vincze, Irén; Somlai, Csaba; Saeed, Mohamed E M; Molnár, József; Efferth, Thomas.

In: Anticancer Research, Vol. 35, No. 12, 01.12.2015, p. 6505-6508.

Research output: Article

Kadioglu, O, Serly, J, Seo, EJ, Vincze, I, Somlai, C, Saeed, MEM, Molnár, J & Efferth, T 2015, 'Molecular docking analysis of steroid-based copper transporter 1 inhibitors', Anticancer Research, vol. 35, no. 12, pp. 6505-6508.
Kadioglu O, Serly J, Seo EJ, Vincze I, Somlai C, Saeed MEM et al. Molecular docking analysis of steroid-based copper transporter 1 inhibitors. Anticancer Research. 2015 dec. 1;35(12):6505-6508.
Kadioglu, Onat ; Serly, Julianna ; Seo, Ean Jeong ; Vincze, Irén ; Somlai, Csaba ; Saeed, Mohamed E M ; Molnár, József ; Efferth, Thomas. / Molecular docking analysis of steroid-based copper transporter 1 inhibitors. In: Anticancer Research. 2015 ; Vol. 35, No. 12. pp. 6505-6508.
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