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TrypInDB: A searchable online resource of small molecule inhibitors against Trypanosoma sp.
Parasitology International ( IF 1.5 ) Pub Date : 2020-05-05 , DOI: 10.1016/j.parint.2020.102131
Saravanan Vijayakumar 1 , Ravi Ranjan 1 , Rishikesh Kumar 2 , Pradeep Das 3
Affiliation  

African Trypanosomiasis and American Trypanosomiasis are the diseases affecting more than thousands of people yearly and more than twenty-five million people risk acquiring the disease. The treatment for the disease is generally expensive, and most of the available drugs are of high-toxicity and cause fatal side-effects. Hence, there is a constant need for finding new treatment strategies for Trypanosomiasis. Combination therapy and repurposing or redesigning of existing inhibitors for new drugs are of high importance to address these hurdles, particularly the drug resistance. Hence, here we report TrypInDB, a searchable online resource of small molecule inhibitors having a varying degree of activity towards Trypanosoma sp. Information of about >14,000 small molecules from >700 published research articles was collected and made as an easy-to-search database. Four major sets of information were made available for each collected inhibitors viz., General information (activity values; source of the inhibitors; enzyme targets; etc.,), Structural information, Toxicity information, and Literature information. More than 25 different information about each inhibitor were collected or predicted and made accessible for searching. The database is designed to be queried easily with multiple-field filters with the provisions to perform sub-structure search and similar FDA approved drug searches. The database supports the easy export of queried records and structure in multiple formats. In addition, the TrypInDB is actively integrated into LeishInDB. We believe that the scope of TrypInDB permits the research community to exploit the available data for repurposing the inhibitors as well as for the investigation of new therapeutics.

Database URL: http://trypindb.biomedinformri.com/



中文翻译:

TrypInDB:可搜索的针对锥虫的小分子抑制剂的在线资源。

非洲锥虫病和美国锥虫病是每年影响成千上万人的疾病,超过两千五百万人冒着患这种疾病的风险。该疾病的治疗通常是昂贵的,并且大多数可获得的药物具有高毒性并引起致命的副作用。因此,不断需要寻找锥虫病的新治疗策略。结合疗法以及对新药的现有抑制剂进行重新定位或重新设计对于解决这些障碍(尤其是耐药性)至关重要。因此,在这里我们报告TrypInDB,这是一种可搜索的在线小分子抑制剂资源,对锥虫具有不同程度的活性sp。收集了来自700多个已发表的研究文章的大约14,000个小分子的信息,并将其作为易于搜索的数据库。可为每种收集的抑制剂提供四组主要信息,即一般信息(活性值;抑制剂的来源;酶标靶等),结构信息,毒性信息和文献信息。收集或预测了有关每种抑制剂的25种以上不同信息,并可以进行搜索。该数据库的设计使其可以通过多字段过滤器轻松查询,并提供执行子结构搜索和类似FDA批准的药品搜索的条件。该数据库支持以多种格式轻松导出查询的记录和结构。此外,TrypInDB已积极集成到LeishInDB中。

数据库URL:http://trypindb.biomedinformri.com/

更新日期:2020-05-05
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