Title

Computationally Assisted Assignment of the Kadsuraols, a Class of Chemopreventive Agents for the Control of Liver Cancer.

Document Type

Article

Publication Date

9-21-2018

Publication Title

Organic letters

Abstract

Kadsuraols A-C (1-3), which are tetrahydrocyclobutaphenanthrofuranone-type lignans with a new carbon skeleton comprising a four-membered ring across C-1'-C-8, have been isolated from the roots of Kadsura longipedunculata. Their structures and absolute configurations were unambiguously determined using nuclear magnetic resonance, X-ray diffraction crystallography, DP4+ calculations, and computed and experimental electronic circular dichroism spectra. Kadsuraol C (3) exhibited hepatoprotective activity against N-acetyl- p-aminophenol (APAP)-induced toxicity. The compounds showed no cytotoxicity at 10 μM in a zone assay.

Medical Subject Headings

Antineoplastic Agents, Phytogenic; Cell Proliferation; Chemoprevention; Crystallography, X-Ray; Drug Screening Assays, Antitumor; Hep G2 Cells; Humans; Kadsura; Liver Neoplasms; Models, Molecular; Plant Roots; Quantum Theory

PubMed ID

30192555

Volume

20

Issue

18

First Page

5559

Last Page

5563

Share

COinS