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细胞毒素大环倍半萜烯异瑞香毒素 A 的晶体结构。

Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.

机构信息

Division of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Athens 15771, Greece.

Institute of Chemical Biology, National Hellenic Research Foundation, 48 Vassileos Constantinou Avenue, Athens 11635, Greece.

出版信息

Acta Crystallogr C Struct Chem. 2024 Aug 1;80(Pt 8):407-411. doi: 10.1107/S2053229624006144. Epub 2024 Jul 10.

DOI:10.1107/S2053229624006144
PMID:38984909
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11299208/
Abstract

The highly cytotoxic macrocyclic trichothecene Isororidin A (CHO) 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 P222, 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.

摘要

从野生药用植物曼陀罗(曼陀罗 Stramonium L.)内生真菌米曲霉中分离出具有高度细胞毒性的大环倍半萜伊索罗丁 A(CHO),并通过一维(1D)和二维(2D)NMR 光谱进行了表征。通过 X 射线晶体学在正交晶系 P222 空间群中从晶体中以 0.81 Å 的分辨率确定了 Isororidin A 的三维结构,每个不对称单元有一个分子。Isororidin A 是先前通过 X 射线晶体学描述的(Roridin A 在大环环的 C-13'位的差向异构体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/099356b69b0a/c-80-00407-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/a0398bf06c6a/c-80-00407-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/2289a0f17941/c-80-00407-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/099356b69b0a/c-80-00407-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/a0398bf06c6a/c-80-00407-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/2289a0f17941/c-80-00407-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5ae/11299208/099356b69b0a/c-80-00407-fig3.jpg

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