BioSynther:a customized biosynthetic potential explorer

来源 :第八届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户:susan002
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Motivation: One of the most promising applications of biosynthetic methods is to produce chemical products of high value from the ready-made chemicals.To explore the biosynthetic potentials of a chemical as a synthesis precursor,biosynthetic databases and related chemoinformatics tools are urgently needed.In the present work,a web-based tool,BioSynther,is developed to explore the biosynthetic potentials of precursor chemicals using BKM-react,Rhea,and more than 50000 inhouse RxnFinder reactions manually curated.BioSynther allows researchers to explore biosynthetic potentials,through so far known biochemical reactions,step by step interactively,which could be used as a useful tool in metabolic engineering and synthetic biology.
其他文献
Indirubin-3-monoxime(IM)is a potent cyclin-dependent kinase(CDK)inhibitor,Twenty novel IM derivatives were prepared to investigate the structure-activity relationships(SAR)of this compound class.Six c
Lung carcinogenesis is a complex process that occurs in unregulated inflammatory environment.EGCG has been extensively investigated as a multi-targeting anti-tumor and anti-inflammatory compound.In th
会议
Targeted delivery of antithrombotic drugs centralizes the effects in the thrombosis site and reduces the hemorrhage side effects in uninjured vessels.We have recently reported that the platelet-target
会议
Human β-tryptase,an enzyme with trypsin-like activity in mast cells,is an important target for the treatment of inflammatory and allergy related diseases.Heparin has been inferred to play a vital role
会议
结合量化计算和介观模拟的方法研究六种分子拓扑结构的脂质结构的PEO-b-PMMA共聚物.以MMA为连接点的共聚物可以形成多种介观结构,如胶束、层状或弯曲层状相态,而长链嵌段共聚物甚至会发生宏观相分离.限制条件的排除体积效应有助于共聚物形成囊泡状相结构,这说明限制可以为调控链段的分布,进而调节相形态,甚至影响材料的性质.具有两条亲水性EO链段和一条疏水性MMA链段的短链共聚物受中性和非中性限制条件作
本文运用第一性计算研究了石墨炔和石墨二炔的钠吸附和扩散动力学性质.石墨炔(GY)和石墨二炔(GDY)分别是由一个和两个乙炔键连接的碳六元环单原子层结构.石墨炔和石墨二炔的一是由sp和sp2杂化碳原子组成的种孔洞结构.GY和GDY的最大钠存储的化学计量比分别为NaC4和NaC3,这远超过了钠嵌入石墨形成二阶插层化合物NaC12的上限,也超过锂嵌入石墨二炔形成LiC6.只要克服约0.4eV的能垒,钠离
Telomere and telomerase were closely related to the occurrence and development of some cancers After the key active site of telomerase was identified,to enhance the ability of dihydropyrazole derivati
会议
Systemic lupus erythematosus(SLE)is a chronic,heterogeneous autoimmune disease short of effective therapeutic agents.A multitude of studies of SLE in the last decade have accentuated a central role of
The transporter MshA is a kind of multidrug resistance ATP-binding cassette transporter that can transport lipid A,lipopoly saccharides,and some amphipathic: drugs from the cytoplasmic to the periplas
The introduction of INF inhibitors has revolutionized the treatment of some chronic inflammatory diseases,e.g.,rheumatoid arthritis and Crohns disease.However,immunogenics ty is one of the important m