Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

• Published in: Nucleic acids research Vol. 46; no. D1; pp. D413 - D418
• Main Authors: Sosa, Ezequiel J, Burguener, Germán, Lanzarotti, Esteban, Defelipe, Lucas, Radusky, Leandro, Pardo, Agustín M, Marti, Marcelo, Turjanski, Adrián G, Fernández Do Porto, Darío
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 04.01.2018
• Subjects: Amino Acid Sequence; Anti-Infective Agents - chemistry; Anti-Infective Agents - pharmacology; Binding Sites; Communicable Diseases - drug therapy; Computational Biology - methods; Database Issue; Databases, Factual; Drug Discovery; Genome, Bacterial; Genome, Fungal; Genome, Helminth; Genome, Protozoan; Humans; Internet; Metabolic Networks and Pathways - drug effects; Metabolic Networks and Pathways - genetics; Models, Molecular; Molecular Targeted Therapy; Protein Binding; Protein Conformation, alpha-Helical; Protein Conformation, beta-Strand; Protein Interaction Domains and Motifs; Sequence Alignment; Sequence Homology, Amino Acid; Software
• ISSN: 0305-1048; 1362-4962
• DOI: 10.1093/nar/gkx1015

Abstract Available genomic data for pathogens has created new opportunities for drug discovery and development to fight them, including new resistant and multiresistant strains. In particular structural data must be integrated with both, gene information and experimental results. In this sense, there is a lack of an online resource that allows genome wide-based data consolidation from diverse sources together with thorough bioinformatic analysis that allows easy filtering and scoring for fast target selection for drug discovery. Here, we present Target-Pathogen database (http://target.sbg.qb.fcen.uba.ar/patho), designed and developed as an online resource that allows the integration and weighting of protein information such as: function, metabolic role, off-targeting, structural properties including druggability, essentiality and omic experiments, to facilitate the identification and prioritization of candidate drug targets in pathogens. We include in the database 10 genomes of some of the most relevant microorganisms for human health (Mycobacterium tuberculosis, Mycobacterium leprae, Klebsiella pneumoniae, Plasmodium vivax, Toxoplasma gondii, Leishmania major, Wolbachia bancrofti, Trypanosoma brucei, Shigella dysenteriae and Schistosoma Smanosoni) and show its applicability. New genomes can be uploaded upon request.