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1. chinaXiv:202002.00024 [pdf]

新冠肺炎(COVID-19)中药天然产物计算筛选与文献证据集成分析

高敏; 朱月星; 熊江辉
Subjects: Medicine, Pharmacy >> Other Disciplines of Medicine and Pharmacology

药物重定位(老药新用)策略在新发传染病中具有独特应用前景。我们前期提出了一种新的药物重定位系统——aCODE,可以基于疾病流行早期有限信息对潜在有效的天然产物进行预测。本文基于计算工具与文献证据,对可能在新冠病毒肺炎(COVID-19)防治中发挥作用的中药天然产物进行理论研究,发现:(1)文献调研共发现56种经过实验验证具有抗冠状病毒活性的天然产物成分,可靶向冠状病毒的结构蛋白和非结构蛋白;(2)将aCODE系统所预测的抗冠状病毒天然产物成分与文献证据对比,发现交集有大黄素、甘草酸、人参皂苷R1、利血平和杨梅素等。大黄素可破坏冠状病毒S蛋白与宿主ACE2相互作用,阻止病毒入侵宿主细胞;同时具有抑制3a蛋白离子通道、阻止病毒释放的作用。甘草酸或其衍生物也是国内相关团队在新冠病毒肺炎治疗研究中重点关注的候选药物,已进入临床试验。(3)针对中药预测结果中大量出现的芳香化合物,aCODE系统增加芳香植物提取物数据源,计算发现氨基肉桂酸、肉桂醛、茴香烯、紫苏醇、芳樟醇、柠檬烯具有潜在的抗病毒效应。提示“芳香避秽”的细胞分子学机理值得进一步深入研究。

submitted time 2020-02-17 Hits19704Downloads1942 Comment 0

2. chinaXiv:201804.00001 [pdf]

T-Area-Marker for Scientific Images

陈光; 郭春芳
Subjects: Medicine, Pharmacy >> Other Disciplines of Medicine and Pharmacology
Subjects: Computer Science >> Integration Theory of Computer Science

Labeled images are one of the most important means of scientific communication and education. However, traditional markers (arrows, lines) are point markers; do not include information about how large the feature is. We designed an efficient marker system for labeling scientific images (electron or light microscopy, CT, MRI, ultrasonography, camera pictures, etc), called the “T Area Marker, (TAM)”. The basic TAM marker looks like a “T”, composed of a line segment and a small tick on one end; it defines an imagined circle that stands on the tickless end and the diameter of the circle is equal to the length of the line segment. Thus the TAM can define an exact area rather than a single point; and the imagined circle does not break the continuity of the image (unlike traditional visible circles, rectangles, etc). A TAM with N ticks (N>1) means the diameter equals to N times the length of TAM. A TAM may also have a tail and/or several tail branches to define translation of the imagined circle, thus define complicated areas. tAreaMarker.py is free software that combines the drawing and reading of TAMs, although in most cases TAMs are easily interpreted without computer assistance.

submitted time 2018-03-31 Hits2042Downloads954 Comment 0

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