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Development the Algorithm for Virtual Screening of Protein Polymorphisms Affecting Their Structural and Functional Properties
Authors: Pavel A. Krylov, Elena O. Gerasimova, Yulia A. Shatyr, Alexander B. Mulik, Valery V. Novochadov
Number of views: 173
The algorithm has been developed for virtual screening of protein polymorphisms that perform various biological functions, primarily related to the regulation of mechanisms at various levels of organization: systemic, cellular, and molecular. The algorithm was developed using the Python v. 3.6.5 programming language in the PyCharm environment. The algorithm includes an automatic search for articles and displays a list that mentions a protein or polymorphism involved in a particular process for specified keywords in PubMed Central. The identified protein and its information are then used to work with the dbSNP database. The algorithm allows sorting polymorphisms according to the following key criteria: whether this polymorphism has been studied or not, whether there is information about its clinical manifestations, the localization of the polymorphism, and the frequency occurrence. The algorithm was tested on the analysis of polymorphisms of the ACAN gene, previously found by automatic search, by keywords characteristic of the functional features of this gene.
As a result, the developed algorithm for virtual screening allowed us to identify polymorphisms of the ACAN gene, according to the stated selection criteria: the total number of polymorphisms (130), their localization in structural and functional domains and in coding (85) or non-coding (52) regions of the gene, as well as the presence of clinical manifestations (136). In the future, the optimization of the algorithm will allow us to obtain more detailed information about certain protein polymorphisms, which will allow us to solve problems in biomedicine, pharmaceuticals, and other biotechnological industries.