Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2024-08-01 Epub Date: 2024-07-10 DOI:10.1107/S2053229624006144

Mostafa A Asmaey, Dimitris A Kalofolias, Maria Despoina Charavgi, Ismail R Abdel-Rahim, Evangelia D Chrysina, Dennis Abatis

引用次数: 0

Abstract

The highly cytotoxic macrocyclic trichothecene Isororidin A (C₂₉H₄₀O₉) was isolated from the fungus Myrothesium verrucaria endophytic on the wild medicinal plant `Datura' (Datura stramonium L.) and was characterized by one- (1D) and two-dimensional (2D) NMR spectroscopy. The three-dimensional structure of Isororidin A has been confirmed by X-ray crystallography at 0.81 Å resolution from crystals grown in the orthorhombic space group P2₁2₁2₁, with one molecule per asymmetric unit. Isororidin A is the epimer of previously described (by X-ray crystallography) Roridin A at position C-13' of the macrocyclic ring.

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细胞毒性大环单端孢霉烯 Isororidin A 的晶体结构。

从野生药用植物 "Datura"（Datura stramonium L.）的内生真菌 Myrothesium verrucaria 中分离出了高细胞毒性大环单端孢霉烯 Isororidin A（C29H40O9），并通过一维（1D）和二维（2D）核磁共振光谱对其进行了表征。X 射线晶体学以 0.81 Å 的分辨率从生长在正交空间群 P212121 中的晶体中确认了 Isoridin A 的三维结构，每个不对称单元有一个分子。异oridin A 是以前描述过的（通过 X 射线晶体学）Roridin A 在大环的 C-13' 位置上的表聚体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.