Architecture of the web interface of the database of chemical reactions intermediates

Firsov D.A., Khrenova M.G.1

Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory, 1, Build. 3, Moscow

1Research Center of Biotechnology, Russian Academy of Sciences, Leninsky prospect, 33, Build. 2, Moscow

To provide access to the database (DB) of intermediates of chemical reactions in proteinrs active sites, we created a web interface (available at The architecture of the proposed solution and the scheme of its integration with external services are shown in the following diagram.

The modules of the presentation layer are responsible for the appearance of web pages displayed to the user, and integrate the information obtained from other modules into them. To implement multilingualism, all language-dependent functions, in particular, messages to the user, have been moved to separate language libraries (currently, the interface is implemented in English and Russian). User authentication is carried out using the Google authentication service using the OAuth 2.0 protocol, which allows us not to store user credentials on the side of our web server, and the user can use an existing account. To display the structures of intermediates in an interactive mode, the JSmol library is used, while the structures themselves are stored in a distributed file storage and, if necessary, are loaded from it via the HTTP protocol. All the necessary information for accessing a specific database (in our case, the PostgreSQL database is used) also moved into a separate module, which allows, if necessary, to work with different and / or distributed databases. In addition, information about publications, which is stored in the database in the form of DOI (digital object identifiers, GOST R ISO 26324-2015), is converted for convenient display by the DOI resolver, which receives information from the DOI server in JSON format.

This work was financially supported by the Russian Foundation for Basic Research (project No. 18-29-13006).


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