Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin

0466881 - FZÚ 2017 RIV US eng J - Journal Article
Ghoran, S.H. - Atabaki, V. - Babaei, E. - Olfatkhah, S.R. - Dušek, Michal - Eigner, Václav - Soltani, A. - Khalaji, A.D.
Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin.
Bioorganic Chemistry. Roč. 66, Jun (2016), s. 27-32. ISSN 0045-2068. E-ISSN 1090-2120
R&D Projects: GA ČR GA15-12653S; GA MŠMT LO1603
EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : cytotoxicity * NMR * sesquiterpene coumarin * theoretical study * TD-DFT * X-ray
Subject RIV: CC - Organic Chemistry
Impact factor: 3.231, year: 2016

Samarcandin 1, a natural sesquiterpene-coumarin, was isolated as well as elucidated from F. assa-foetida which has significant effect in Iranian traditional medicine because of its medicinal attitudes. The crystal structure of samarcandin was determined by single-crystal X-ray structure analysis. It is orthorhombic, with unit cell parameters a = 10.8204 (5) Å, b = 12.9894 (7) Å, c = 15.2467 (9) Å, V = 2142.9 (2) Å3, space group P212121 and four symmetry equivalent molecules in the unit cell. Samarcandin was isolated in order to study for its theoretical studies as well as its cellular toxicit y as anti-cancer drug against two cancerous cells. In comparison with controls, our microscopic and MTT assay data showed that samarcandin suppresses cancer cell proliferation in a dose-dependent manner with IC50 = 11 lM and 13 for AGS and WEHI-164 cell lines, respectively.
Permanent Link: http://hdl.handle.net/11104/0265126