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LC-PDA-MS/MS-Based Dereplication Guided Isolation of a New Optical Isomer of 19,20-Epoxycytochalasin-N and Its Cytotoxic Activity.

ABSTRACT: The Rosellinia sanctae-cruciana extract was subjected to detailed liquid chromatography tandem mass spectrometry studies. A total of 38 peaks were annotated to m/z 508.26, m/z 510.28, m/z 524.26, m/z 526.28, m/z 540.26, m/z 542.27, and m/z 584.28 [M + H]+. The accurate mass, mutually supported UV/vis spectra, and database search identified these compounds as cytochalasins. Systematic dereplication helped identify a peak at m/z 540.26 [M + H]+ as the new compound. Further, the identified compound was purified by high-performance liquid chromatography and characterized by 2D NMR to be 19,20-epoxycytochalasin N1, a new optical isomer of 19,20-epoxycytochalasin-N. It exhibited substantial cytotoxicity with IC50 values ranging from 1.34 to 19.02 μM. This study shows a fast approach for dereplicating and identifying novel cytochalasin metabolites in crude extracts.

SUBMITTER: Kushwaha M 

PROVIDER: S-EPMC9404496 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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LC-PDA-MS/MS-Based Dereplication Guided Isolation of a New Optical Isomer of 19,20-Epoxycytochalasin-N and Its Cytotoxic Activity.

Kushwaha Manoj M   Qayum Arem A   Sharma Nisha N   Abrol Vidushi V   Choudhary Poonam P   Murtaza Mohd M   Singh Shashank K SK   Vishwakarma Ram A RA   Goutam Umesh U   Jain Shreyans K SK   Jaglan Sundeep S  

ACS omega 20220810 33

The <i>Rosellinia sanctae</i>-<i>cruciana</i> extract was subjected to detailed liquid chromatography tandem mass spectrometry studies. A total of 38 peaks were annotated to <i>m</i>/<i>z</i> 508.26, <i>m</i>/<i>z</i> 510.28, <i>m</i>/<i>z</i> 524.26, <i>m</i>/<i>z</i> 526.28, <i>m</i>/<i>z</i> 540.26, <i>m</i>/<i>z</i> 542.27, and <i>m</i>/<i>z</i> 584.28 [M + H]<sup>+</sup>. The accurate mass, mutually supported UV/vis spectra, and database search identified these compounds as cytochalasins. S  ...[more]

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