Work

Bioinformatics

Bioinformatics services

Our team, led by Leandro Radusky, brings expertise evidenced by a rich portfolio of publications and applications. We offer specialized bioinformatics services and pipeline development focused in organism target prioritization, structural analysis & engineering, and virtual screening & docking, tailored to accelerate your research and development projects.

Organism target prioritization ¹

Our proficiency in organism target prioritization is underscored by our extensive publication record on human and cattle pathogens. We excel in building advanced pipelines and interactive websites, demonstrating our ability to manage and integrate vast datasets from varied sources (NGS, functional data, structural data, etc). Our work encapsulates the development and deployment of sophisticated bioinformatics tools and platforms, enabling the seamless identification of potential therapeutic targets.

Key Services:

• Comprehensive genomic analysis
• Identification and prioritization of druggable targets
• Pathogen-specific research insights

Structural analysis & engineering ²

Our structural analysis and engineering services are distinguished by our significant contributions to the field, underscored by our development of innovative tools such as VarQ, FoldX, and pyFoldX. These contributions underscore our expertise in analyzing the impact of protein mutations, engineering proteins and other biomolecules for enhanced functionality, and manipulating biomolecules for precise applications.

Key Services:

• Advanced protein structure and stability analysis
• Custom protein engineering and design
• Custom nucleic acids engineering and characterization
• Interaction and complex formation analysis

Virtual screening and docking ³

Our virtual screening and docking capabilities are exemplified by the development of LigQ and the Mycobacterium tuberculosis Protein's Druggability Database, demonstrating our ability to identify and assess potential therapeutic compounds.

Key Services:

• High-throughput compound screening
• Molecular docking and binding affinity prediction
• Druggability and interaction analysis

Publications

1. Organism target prioritization ↩

• Leandro Radusky, et al. "TuberQ: a Mycobacterium tuberculosis Protein's Druggability Database." Oxford Database Journal 2014. DOI:10.1093/database/bau035
• Leandro Radusky, et al. "An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets." BMC Genomics, 2014. DOI: 10.1186/1471-2164-16-S5-S9
• Lucas A Defelipe, Leandro Radusky, et al. “A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis” Tuberculosis, 2015
• Ezequiel J. Sosa, Germán Burguener, Esteban Lanzarotti, Lucas Defelipe, Leandro Radusky, Agustín M. Pardo, Marcelo Marti, Adrián G. Turjanski, Darío Fernández Do Porto “Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens” Nucleic Acids Research (2017), gkx1015. DOI: 10.1093/nar/gkx1015
• Leandro Radusky, et al. “The Druggable Pocketome of Corynebacterium diphtheriae: A new approach for in-silico putative druggable targets” Front. Genet. (2018) DOI: 10.3389/fgene.2018.00044

2. Structural analysis & engineering ↩

• Leandro Radusky, et al. “VarQ: a tool for the structural and functional analysis of Human Protein Variants” Frontiers in genetics (2018) DOI: 10.3389/fgene.2018.00620
• Leandro Radusky, et al. "FoldX 5.0: Working with RNA, small molecules, and a new graphical interface." Bioinformatics, 2019. DOI: 10.1093/bioinformatics/btz184
• Leandro Radusky, et al. “FoldX accurate structural protein–DNA binding prediction using PADA1 (Protein Assisted DNA Assembly 1)” Nucleic acids research (2018) - https://doi.org/10.1093/nar/gky228
• Leandro Radusky, et al. “Protein-assisted RNA fragment docking (RnaX) for modeling RNA–protein interactions using ModelX” Proceedings of the National Academy of Sciences Nov 2019, 201910999; DOI: 10.1073/pnas.1910999116
• Leandro Radusky & Luis Serrano “pyFoldX: enabling biomolecular analysis and engineering along structural ensembles” Bioinformatics, btac072 (2022), DOI: 10.1093/bioinformatics/btac072

3. Virtual screening and docking ↩

• Leandro Radusky, et al. "LigQ: a WebServer to select and prepare ligands for virtual screening." J. Chem. Inf. Model., 2017. DOI: 10.1021/acs.jcim.7b00241
• Leandro Radusky, et al. "TuberQ: a Mycobacterium tuberculosis Protein's Druggability Database." Oxford Database Journal 2014. DOI:10.1093/database/bau035