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应用化学生态策略从海洋蓝细菌中发现天然产物

Applying a Chemogeographic Strategy for Natural Product Discovery from the Marine Cyanobacterium .

机构信息

Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA 92093, USA.

Li Dak Sum Yip Yio Chin Kenneth Li Marine Biopharmaceutical Research Center, Department of Marine Pharmacy, College of Food and Pharmaceutical Sciences, Ningbo University, Ningbo 315800, China.

出版信息

Mar Drugs. 2020 Oct 14;18(10):515. doi: 10.3390/md18100515.

DOI:10.3390/md18100515
PMID:33066480
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7602127/
Abstract

The tropical marine cyanobacterium occupies a large geographic range across the Indian and Western Tropical Pacific Oceans and is a prolific producer of structurally unique and biologically active natural products. An ensemble of computational approaches, including the creation of the ORCA (Objective Relational Comparative Analysis) pipeline for flexible MS feature detection and multivariate analyses, were used to analyze various samples. The observed chemogeographic patterns suggested the production of regionally specific natural products by . Analyzing the drivers of these chemogeographic patterns allowed for the identification, targeted isolation, and structure elucidation of a regionally specific natural product, doscadenamide A (). Analyses of MS fragmentation patterns further revealed this natural product to be part of an extensive family of herein annotated, proposed natural structural analogs (doscadenamides B-J, 2-10); the ensemble of structures reflect a combinatorial biosynthesis using nonribosomal peptide synthetase (NRPS) and polyketide synthase (PKS) components. Compound displayed synergistic in vitro cancer cell cytotoxicity when administered with lipopolysaccharide (LPS). These discoveries illustrate the utility in leveraging chemogeographic patterns for prioritizing natural product discovery efforts.

摘要

热带海洋蓝藻 分布于印度洋和西太平洋热带海域，具有广泛的地理分布，是结构独特和生物活性天然产物的丰富生产者。采用了一系列计算方法，包括创建 ORCA（目标关系比较分析）管道，用于灵活的 MS 特征检测和多变量分析，来分析各种 样本。观察到的化学地理模式表明 产生了具有区域特异性的天然产物。分析这些化学地理模式的驱动因素，有助于识别、靶向分离和结构阐明具有区域特异性的天然产物，doscadenamide A ()。MS 碎片模式分析进一步表明，该天然产物是在此处注释的、提出的天然结构类似物 (doscadenamides B-J, 2-10) 的广泛家族的一部分；这些结构组合反映了使用非核糖体肽合成酶 (NRPS) 和聚酮合酶 (PKS) 组件的组合生物合成。当与脂多糖 (LPS) 联合给药时，化合物 在体外癌细胞毒性方面显示出协同作用。这些发现说明了利用化学地理模式来优先进行天然产物发现工作的实用性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/2cd3e5eb20a8/marinedrugs-18-00515-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/a0fd449bf3bb/marinedrugs-18-00515-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/834393514c5e/marinedrugs-18-00515-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/ae3968247b88/marinedrugs-18-00515-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/2343559577a1/marinedrugs-18-00515-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/5cd58efc9949/marinedrugs-18-00515-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/6fef05532dda/marinedrugs-18-00515-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/0c0abd64203c/marinedrugs-18-00515-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/2cd3e5eb20a8/marinedrugs-18-00515-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/a0fd449bf3bb/marinedrugs-18-00515-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/834393514c5e/marinedrugs-18-00515-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/ae3968247b88/marinedrugs-18-00515-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/2343559577a1/marinedrugs-18-00515-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/5cd58efc9949/marinedrugs-18-00515-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/6fef05532dda/marinedrugs-18-00515-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/0c0abd64203c/marinedrugs-18-00515-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a4c/7602127/2cd3e5eb20a8/marinedrugs-18-00515-g008.jpg

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