Database Commons

a catalog of biological databases

e.g., animal; RNA; Methylation; China

Database Profile

General information

URL: http://qsidb.lbci.net
Full name:
Description: A database of 633 reported and 73,073 potential quorum sensing interference molecules (QSIMs) for various QS systems.
Year founded: 2020
Last update:
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Country/Region: China
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NA
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NA
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Contact information

University/Institution: Tianjin University
Address: School of Computer Science and Technology, College of Intelligence and Computing, Tianjin University, Peiyang Park Campus, No.135 Yaguan Road, Tianjin, 300350, China.
City: Tianjin
Province/State:
Country/Region: China
Contact name (PI/Team): Fei Guo
Contact email (PI/Helpdesk): fguo@tju.edu.cn

Publications

33003203
QSIdb: quorum sensing interference molecules. [PMID: 33003203]
Shengbo Wu, Chunjiang Liu, Jie Feng, Aidong Yang, Fei Guo, Jianjun Qiao

Quorum sensing interference (QSI), the disruption and manipulation of quorum sensing (QS) in the dynamic control of bacteria populations could be widely applied in synthetic biology to realize dynamic metabolic control and develop potential clinical therapies. Conventionally, limited QSI molecules (QSIMs) were developed based on molecular structures or for specific QS receptors, which are in short supply for various interferences and manipulations of QS systems. In this study, we developed QSIdb (http://qsidb.lbci.net/), a specialized repository of 633 reported QSIMs and 73 073 expanded QSIMs including both QS agonists and antagonists. We have collected all reported QSIMs in literatures focused on the modifications of N-acyl homoserine lactones, natural QSIMs and synthetic QS analogues. Moreover, we developed a pipeline with SMILES-based similarity assessment algorithms and docking-based validations to mine potential QSIMs from existing 138 805 608 compounds in the PubChem database. In addition, we proposed a new measure, pocketedit, for assessing the similarities of active protein pockets or QSIMs crosstalk, and obtained 273 possible potential broad-spectrum QSIMs. We provided user-friendly browsing and searching facilities for easy data retrieval and comparison. QSIdb could assist the scientific community in understanding QS-related therapeutics, manipulating QS-based genetic circuits in metabolic engineering, developing potential broad-spectrum QSIMs and expanding new ligands for other receptors.

Brief Bioinform. 2020:() | 0 Citations (from Europe PMC, 2021-02-20)

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Record metadata

Created on: 2020-11-10
Curated by:
lin liu [2021-02-23]
Ruru Chen [2020-11-28]
Chang Liu [2020-11-10]