Discngine
 | |
| Company type | Private |
|---|---|
| Industry | Bioinformatics and Cheminformatics software and services |
| Headquarters | Paris, France |
| Products | 3decision, Discngine Assay, Discngine software components (Connector, Chemistry and Network collection) |
| Services | Custom IT applications for new molecule discovery |
Number of employees | 70+ |
| Website | https://www.discngine.com/ |
Discngine (/dɪskˈɛn.dʒɪn/) is a french life science software and service company, dedicated to providing IT solutions for drug discovery. The company was founded in 2004 and is based in Paris, France.
Discngine specializes in the fields of cheminformatics, structural bioinformatics, lab informatics, data science and cloud computing. It offers software-as-a-service (SaaS) products and tailored IT solutions to pharmaceutical, biotechnology, cosmetic, and agrochemical companies.
Products[edit]
3decision [1][2][edit]
3decision is a web-based centralized repository for 3D biomolecular and protein-ligand complex structures. It allows researchers to store, search, annotate, share and analyze both public and proprietary protein structures through its collaborative visual interface. 3decision is used by experts in structural biology, medicinal chemistry, molecular modelling, and protein engineering.
The main applications of 3decision in structure-based drug discovery (SBDD) include structures visualization and comparison, pocket analysis and druggability assessment,[3][4] protein-ligand interaction analysis, off-target assessment, sequence and structure annotation mapping, and biologics applications such as protein-protein interaction analysis.
External data integrated into 3decision are coming from: RCSB PDB, UniProt, AlphaFold Database and more. With 3decision's public REST API the software can be integrated into the other drug discovery software and internal workflows.
Discngine Assay[1][5][edit]
Discngine Assay is a web-based SaaS solution that allows lab scientists to capture, visualize, manage, and analyze screening and assay data, from assay development to high throughput, routine screening.
It is a modular and evolutive platform that includes modules like:
- assay catalog: to define and annotate your assays using ontology terms
- sample management: plates, racks and vials inventory coupled with a plate-preparation assistant
- plate-based assay analysis: to visualize and analyze experimental data
- data warehousing: to store, aggregate and share results
The software suite can be used as a whole, or separate modules can be integrated into the existing lab IT environment.
Software components[edit]
Discngine Connector[6] encompasses multiple software components that connect LifeScience Research applications coming from KNIME, Schrodinger, Biovia and Spotfire. It relies on companies’ public APIs and has a no-code integration.
Collections for chemistry and network analysis,[1] featuring scaffold networks, molecular fragmentation, Pharmacophore Graph for matched molecular pairs analysis, and advanced graph theory for managing and analyzing complex network structures.
Recognition[edit]
In 2019, Discngine won a Bio-IT World's prestigious Innovative Practices award[7] for the co-development of the 3decision software with AbbVie. It allowed AbbVie scientists to streamline management of massive protein structure data and increase structural insights and idea generation for their SBDD projects.
Partner bioinformatics companies[edit]
References[edit]
- ^ a b c Cox, Philip B.; Gupta, Rishi (2022-07-14). "Contemporary Computational Applications and Tools in Drug Discovery". ACS Medicinal Chemistry Letters. 13 (7): 1016–1029. doi:10.1021/acsmedchemlett.1c00662. ISSN 1948-5875. PMC 9290028. PMID 35859884.
- ^ "3decision".
- ^ Eguida, Merveille; Rognan, Didier (2022-10-18). "Estimating the Similarity between Protein Pockets". International Journal of Molecular Sciences. 23 (20): 12462. doi:10.3390/ijms232012462. ISSN 1422-0067. PMC 9604425. PMID 36293316.
- ^ Le Guilloux, Vincent; Schmidtke, Peter; Tuffery, Pierre (2009-06-02). "Fpocket: An open source platform for ligand pocket detection". BMC Bioinformatics. 10 (1): 168. doi:10.1186/1471-2105-10-168. ISSN 1471-2105. PMC 2700099. PMID 19486540.
- ^ "Assay". Discngine.
- ^ "Discngine Connector". Discngine.
- ^ "Bio-IT World Announces Inaugural Innovative Practices Awards Winners". Pubs - Bio-IT World. Retrieved 2024-06-05.