Aims: Non-synonymous single nucleotide polymorphisms (nsSNPs) are variations in DNA that can affect protein structure and function and are known to cause various diseases, such as heart disease, diabetes, and cancer. For instance, changing glutamic acid to valine in the hemoglobin beta gene leads to sickle cell anemia. nsSNPs found in genes associated with drug targets or drug-metabolizing enzymes can influence how individuals respond to drugs and their susceptibility to certain diseases. Understanding nsSNPs is essential for comprehending how genetic variations impact protein functionality and contribute to disease onset, which is crucial for accurate diagnosis and treatment decisions. Using computational tools to analyse protein sequence and structure data significantly increases the prediction efficiency of the impact caused by these nsSNPs.
Methods: The analysis results obtained from several computational
tools (such as SIFT, PolyPhen, AutoDock, and GROMACS) relevant to the study of
the impact of amino acid residue substitutions were integrated into existent
information records from the literature and genetic association databases.
These tools enable the combination of results from a variety of different
approaches to evaluate the potential impact of nsSNPs on protein function.
Results: We have developed TargetSNPdb, a comprehensive database
that contains computational predictions of the structural and functional impact
of nsSNPs in human protein-coding genes, including drug target and
drug-metabolizing enzyme-encoding genes.
Conclusion: TargetSNPdb provides nsSNP data, disease associations,
and drug information. Molecular modeling helps understand genetic variations,
drug responses, and diseases. Potential applications of TargetSNPdb include
prioritising nsSNPs for association and experimental studies.
Author
(s) Details
Sergio Amorim de
Alencar
Departamento de Química, Chemoinformatics Group - NEQUIM, Instituto de
Ciências Exatas, Universidade Federal de Minas Gerais (UFMG). Av. Pres. Antônio
Carlos 6627, Pampulha, 31270-901, Belo Horizonte, MG, Brazil and Departamento
de Bioquímica e Imunologia, Bioinformática, Universidade Federal de Minas
Gerais, Av. Antônio Carlos 6627, Belo Horizonte – M.G., 31270-901, Brazil.
Eduardo Campos Santos
Departamento de Química, Chemoinformatics Group - NEQUIM, Instituto de
Ciências Exatas, Universidade
Federal de Minas Gerais (UFMG). Av. Pres. Antônio Carlos 6627, Pampulha,
31270-901, Belo Horizonte, MG, Brazil and Departamento de Bioquímica e
Imunologia, Bioinformática, Universidade
Federal de Minas Gerais, Av. Antônio Carlos 6627, Belo Horizonte – M.G.,
31270-901, Brazil.
Andrelly Martins-José
Departamento de Química, Chemoinformatics Group - NEQUIM, Instituto de
Ciências Exatas, Universidade Federal de Minas Gerais (UFMG). Av. Pres. Antônio
Carlos 6627, Pampulha, 31270-901, Belo Horizonte, MG, Brazil.
Vera Lucia de Almeida
Departamento de Química, Chemoinformatics Group - NEQUIM, Instituto de
Ciências Exatas, Universidade Federal de Minas Gerais (UFMG). Av. Pres. Antônio
Carlos 6627, Pampulha, 31270-901, Belo Horizonte, MG, Brazil and Serviço de
Fitoquímica e Prospecção Farmacêutica, Fundação Ezequiel Dias, Belo Horizonte,
MG, Brazil.
Julio Cesar Dias
Lopes
Departamento de Química, Chemoinformatics Group - NEQUIM, Instituto de
Ciências Exatas, Universidade Federal de Minas Gerais (UFMG). Av. Pres. Antônio
Carlos 6627, Pampulha, 31270-901, Belo Horizonte, MG, Brazil.
Please see the book here:- https://doi.org/10.9734/bpi/rdcbr/v7/2969
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