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Isolation of Microcystin-LR and Its Potential Function of Ionophore

Title
Isolation of Microcystin-LR and Its Potential Function of Ionophore
Author
원호식
Keywords
Microcystin-LR; Molecular dynamics; Metal complex
Issue Date
2015-10
Publisher
한국자기공명학회
Citation
Journal of the Korean Magnetic Resonance Society, v. 19, No. 2, Page. 67-73
Abstract
The microcystin is a cyclic heptapeptide from metabolites of cyanobacteria in the genera mycrocystis, anabaeba as a result of eutrophication. It has been known that microcystin-LR is a potent inhibitor of the catalytic subunits of protein phosphatase-1 (PP-1) as well as powerful tumor promoter. The active site of microcystin actually has two metal ions Fe2+/Zn2+ Fe2+/Zn2+ close to the nucleophilic portion of PP-1-microcystin complex. We report the isolation and purification of this microcystin-LR from cyanobacteria (blue-green algae) obtained from Daechung Dam in Chung-cheong Do, Korea. Microcystin-LR was extracted from solid-phase extraction (SPE) sample preparation using a CN cartridge. The cyanobacteria extract was purified to obtain microcystin-LR by HPLC method and identified by LC/MS. The detail structural studies that can elucidate the possible role of monovalent and divalent metal ions in PP-1-microcystin complexation were carried out by utilizing molecular dynamics. Conformational changes in metal binding for ligands were monitored by molecular dynamic computation and potential of mean force (PMF) using the method of the free energy perturbation. The microcystin-metal binding PMF simulation results exhibit that microcystin can have very stable binding free energy of -10.95 kcal/mol by adopting the Mg2+ Mg2+ ion at broad geometrical distribution of 0.5∼4.5\AA 0.5∼4.5\AA , and show that the K+ K+ ion can form a stable metal complex rather than other monovalent alkali metal ions.
URI
http://koreascience.or.kr/article/JAKO201531362062791.pagehttps://repository.hanyang.ac.kr/handle/20.500.11754/101781
ISSN
1226-6531
DOI
10.6564/JKMRS.2015.19.2.067
Appears in Collections:
COLLEGE OF SCIENCE AND CONVERGENCE TECHNOLOGY[E](과학기술융합대학) > CHEMICAL AND MOLECULAR ENGINEERING(화학분자공학과) > Articles
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