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BIAdb:一个经过整理的苄基异喹啉生物碱数据库。

BIAdb: a curated database of benzylisoquinoline alkaloids.

作者信息

Singla Deepak, Sharma Arun, Kaur Jasjit, Panwar Bharat, Raghava Gajendra P S

机构信息

Bioinformatics Centre, Institute of Microbial Technology (CSIR), Chandigarh, India.

出版信息

BMC Pharmacol. 2010 Mar 5;10:4. doi: 10.1186/1471-2210-10-4.

Abstract

BACKGROUND

Benzylisoquinoline is the structural backbone of many alkaloids with a wide variety of structures including papaverine, noscapine, codeine, morphine, apomorphine, berberine, protopine and tubocurarine. Many benzylisoquinoline alkaloids have been reported to show therapeutic properties and to act as novel medicines. Thus it is important to collect and compile benzylisoquinoline alkaloids in order to explore their usage in medicine.

DESCRIPTION

We extract information about benzylisoquinoline alkaloids from various sources like PubChem, KEGG, KNApSAcK and manual curation from literature. This information was processed and compiled in order to create a comprehensive database of benzylisoquinoline alkaloids, called BIAdb. The current version of BIAdb contains information about 846 unique benzylisoquinoline alkaloids, with multiple entries in term of source, function leads to total number of 2504 records. One of the major features of this database is that it provides data about 627 different plant species as a source of benzylisoquinoline and 114 different types of function performed by these compounds. A large number of online tools have been integrated, which facilitate user in exploring full potential of BIAdb. In order to provide additional information, we give external links to other resources/databases. One of the important features of this database is that it is tightly integrated with Drugpedia, which allows managing data in fixed/flexible format.

CONCLUSIONS

A database of benzylisoquinoline compounds has been created, which provides comprehensive information about benzylisoquinoline alkaloids. This database will be very useful for those who are working in the field of drug discovery based on natural products. This database will also serve researchers working in the field of synthetic biology, as developing medicinally important alkaloids using synthetic process are one of important challenges. This database is available from http://crdd.osdd.net/raghava/biadb/.

摘要

背景

苄基异喹啉是许多生物碱的结构骨架,这些生物碱具有多种多样的结构,包括罂粟碱、那可丁、可待因、吗啡、阿扑吗啡、黄连素、原阿片碱和筒箭毒碱。许多苄基异喹啉生物碱已被报道具有治疗特性,并可作为新型药物。因此,收集和编纂苄基异喹啉生物碱以探索其在医学中的用途很重要。

描述

我们从多个来源提取有关苄基异喹啉生物碱的信息,如PubChem、KEGG、KNApSAcK以及从文献中进行人工整理。对这些信息进行处理和编纂,以创建一个关于苄基异喹啉生物碱的综合数据库,称为BIAdb。BIAdb的当前版本包含有关846种独特苄基异喹啉生物碱的信息,就来源、功能而言有多个条目,导致记录总数为2504条。该数据库的一个主要特点是它提供了有关627种不同植物物种作为苄基异喹啉来源的信息,以及这些化合物执行的114种不同类型的功能。集成了大量在线工具,便于用户充分发掘BIAdb的潜力。为了提供更多信息,我们给出了指向其他资源/数据库的外部链接。该数据库的一个重要特点是它与Drugpedia紧密集成,允许以固定/灵活格式管理数据。

结论

已创建了一个苄基异喹啉化合物数据库,该数据库提供了有关苄基异喹啉生物碱的全面信息。该数据库对于从事基于天然产物的药物发现领域的人员将非常有用。该数据库也将为合成生物学领域的研究人员服务,因为利用合成过程开发具有重要药用价值的生物碱是一项重大挑战。该数据库可从http://crdd.osdd.net/raghava/biadb/获取。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a128/2844369/9a00f2cb153e/1471-2210-10-4-1.jpg

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