Antitumor activity and QSAR-analysis of rhodanine derivatives with benzothiazole fragment in molecule

  • L.M. Mosula -
  • B.S. Zimenkovsky -
  • V.V. Ogurcov -
  • D.Ya. Havrylyuk -
  • I.V. Drapak -
  • R.B. Lesyk -
Keywords: 2-thioxo-4-thiazolidone, antitumor activity, molecular descriptors, QSAR

Abstract

It is established, that 2-thioxo-4-thiazolidone derivatives with benzothiazole fragment in molecule possess moderate antineoplastic activity with the expressed selectivity to individual lines of leukemia, melanoma, breast and ovarian cancer. Based on the QSAR-analysis (BuildQSAR) of pharmacological scree­ning results one- and two-parametric models of «structure — antitumor activity» correlation are received, which show that activity of tested compounds depends on the size of a molecule and their branching. The received models can serve as a theoretical platform for de novo synthesis of potential antitumor agents among 2-thioxo-4-thiazolidone derivatives with benzothiazole fragment in molecule.

References

1. Mosul LM, Lesik RB // Pharmacist. jury. - 2008. - № 1. - P. 56—61.
2. Mosul LM, Zimenkovsky BS, Lesik P.S., Gavriluk D.Ya. Utility Model Patent No. 32670 // Application. 11.01.2008. Publ. 26.05.2008. Bul. № 10.
3. Alley MS, Scudiero D.A., Monks R.A. et al. / / Cancer Research. - 1988 - Vol. 48. P. 589-601.
4. Capter P.H., Scherle P.A., MuchelbauerJ.A. et al. // Proc. Natl. Acad. Sei. USA. - 2001. - Vol. 98. P. 11879-11884.
5. Degterev A., Lugovskoy A., Cardone M. et al .. // Nature Cell Biology. - 2001. - № 3. - P. 173—182.
6. DRAGON web version 3.0. QSAR software developed by Milano Chemometrics and QSAR Research Group, Department of Scienze dell'Ambiente e del Territorio Universita degli Studi di Milano - Bicocca.
7. Grever M.R., Schepartz S.A., Chabner B.A. / / Seminars in Oncology. - 1992 - Vol. 19, No. 6. P. 622-638.
8. HyperChem 7.5 (HyperCube, Inc.) / http: www.hyper.com
9. Kok S.H.L., Gambari R., Chui C.H. et al. / / Bioorganic & Medicinal Chemistry. - 2008. - Vol. 16. C. 3626-3631.
10. Masayuki Kawakami, Keizo Koya, Tochinao Ukai et al. / / J. of Medicinal Chemistry. - 2002. - Vol. 37. P. 197-206.
11. Neil S. Cutshall, Christine O'Day, Marina Prerzhdo // Bioorganic & Medicinal Chemistry Letters. - 2005. - № 15. - P. 3374-3379.
12. de Oliver D.B., Gaudio A.C. // Quant. Struct. - Act. Relat. - 2000. - Vol. 19, No. 6. - P. 599—601.
13. Pat. No. WO 03/094916 Al / Z. Zhang, Daynard T.S., Kalmar G.B. - 20 November 2003 (20 November 2003). Canada A61K31 / 426; A61K31 / 427; A61P35 / 00; A61P29 / 00 №WO2003CA00682.
14. Shedden K., Rosania G.R. / / Molecular Pharmaceutics. - 2004. - Vol. 1, no. 4. P. 267-280.
15. Todeschini R., Consonni V. Handbook of Molecular Descriptors. —Wiley — VCH, Weinheim, Germany,
2000. - 668 p.
16. Yoshida M, Hayakawa I., Hayashy N. et al. / / Bioorganic & Medicinal Chemistry Letters. - 2005. - № 15. (Vol. 15.). P. 3328-3332.
Published
2020-03-11
How to Cite
Mosula, L., Zimenkovsky, B., Ogurcov, V., Havrylyuk, D., Drapak, I., & Lesyk, R. (2020). Antitumor activity and QSAR-analysis of rhodanine derivatives with benzothiazole fragment in molecule. Farmatsevtychnyi Zhurnal, (2), 77-83. Retrieved from https://pharmj.org.ua/index.php/journal/article/view/851
Issue
No. 2 (2010): Farmatsevtychnyi zhurnal
Section
Original Articles
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