2. Academic Validation
  3. Kagimminols A and B, Cembrene-Type Diterpenes from an Okeania sp. Marine Cyanobacterium

Kagimminols A and B, Cembrene-Type Diterpenes from an Okeania sp. Marine Cyanobacterium

  • J Nat Prod. 2024 Feb 21. doi: 10.1021/acs.jnatprod.4c00056.
Akira Ebihara 1,  Raimu Taguchi 1,  Ghulam Jeelani 2,  Tomoyoshi Nozaki 2,  Kiyotake Suenaga 1,  Arihiro Iwasaki 3
Affiliations

Affiliations

  • 1 Department of Chemistry, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, Kanagawa 223-8522, Japan.
  • 2 Department of Biomedical Chemistry, Graduate School of Medicine, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8654, Japan.
  • 3 Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan.
PMID: 38381613 DOI: 10.1021/acs.jnatprod.4c00056
Abstract

Kagimminols A (1) and B (2), new cembrene-type Diterpenoids, were isolated from an Okeania sp. marine cyanobacterium. By combining DP4 analysis with an efficient NMR chemical shift calculation protocol, we clarified the relative configurations of 1 and 2 without consuming precious Natural Products. We determined the absolute configurations by a comparison of theoretical electronic circular dichroism (ECD) spectra with experimental spectra, and the absolute configuration of 1 was verified experimentally. Finally, we found that 1 and 2 showed selective growth-inhibitory activity against the causative agent of human African trypanosomiasis. This study exemplifies that computational chemistry is an efficient tool for clarifying the configurations of Natural Products possessing tautomers in equilibrium.

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