网络分析从螺旋藻 (Arthrospira platensis) 中获取生物活性化合物及其与系统性红血狼相关的标

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Amnart Chaiprasert^1,2, Ping Han^3,4, Teeraphan Laomettachit³

¹Biotechnology Program, School of Bioresources and Technology (SBT), King Mongkut's University of Technology Thonburi (KMUTT), Bang Khun Thian, Bangkok, Thailand.

|August 29, 2024

概括

阿瑟斯皮拉白金化合物显示出治疗系统性红斑狼 (SLE) 的前景. 四种藻类化合物与SLE药物完全匹配,表明了更安全,自然的治疗替代品的潜力.

科学领域:

生物勘探是指生物勘探.
自然产品化学自然产品化学
计算生物学计算生物学

背景情况:

系统性红斑狼 (SLE) 治疗依赖于免疫抑制药物,有显著的毒性问题.
自然产品为发现更安全的治疗剂提供了潜在的途径.
青藻 (Arthrospira platensis) 是多种生物活性化合物的丰富来源.

研究的目的:

选Arthrospira platensis的生物活性化合物与潜在的治疗应用在SLE.
为了识别来自A. platensis的自然化合物,其结构和功能类似于现有的SLE药物.
评估已识别的藻类化合物的与SLE相关的分子标的结合亲和力.

主要方法:

从Spirulina-Proteome Repository (SpirPro) 和相关文献中获取了833种A. platensis化合物.
从PubChem收集的化合物结构和生物测试;从DrugBank收集的SLE药物.
利用了Tanimoto相似性,网络分析 (VisANT,Cytoscape),分子对接和模拟.

主要成果:

四种A. platensis化合物 (cytidine,desthiobiotin,agmatine,anthranilic acid) 与SLE药物 (cytarabine,d-dethiobiotin,agmatine,anthranilic acid) 呈现出100%的Tanimoto相似性. 这四种化合物是A.
网络分析确定了471个与SLE相关的基因,其中MDM2,TP53,JAK2被细胞氨基酸和PPARG,IL1B被d-dethiobiotin所准.
分子对接和模拟证实了藻类化合物与它们各自的标之间具有可比的结合亲和力.

结论:

甲螺旋含有具有SLE治疗高潜力的化合物,反映了已知的药物活动.
已识别的藻类化合物,如cytidine和desthiobiotin,为开发新型,潜在的少毒性SLE疗法提供了有希望的线索.
计算和模拟方法验证了这些天然化合物对SLE的治疗相关性.

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