Andres Ballesteros- Master of Science
- Research Assistant at Institut Pasteur de Montevideo
Andres Ballesteros
- Master of Science
- Research Assistant at Institut Pasteur de Montevideo
About
9
Publications
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Introduction
I'm currently working at the Instituto Pasteur de Montevideo. I specialize in computational biophysics and structural biology. I'm also finishing my Ph.D. at the Universidad de la República in Uruguay. My research there focuses on biochemistry, cheminformatics, and drug design.
Skills and Expertise
Current institution
Additional affiliations
January 2020 - present
Publications
Publications (9)
Molecular dynamics (MD) simulations provide an invaluable platform for exploring the dynamics of complex biomolecular systems at atomic resolution. However, compatibility issues between force fields and MD software engines can limit the interoperability and transferability of simulations. This work demonstrates the successful use of the coarse-grai...
The search for new anti-infectives based on metal complexes is gaining momentum. Among the different options taken by researchers, the one involving the use of organometallic complexes is probably the most successful one with a compound, namely, ferroquine, already in clinical trials against malaria. In this study, we describe the preparation and i...
The search for new anti-infectives based on metal complexes is gaining momentum. Among the different options taken by researchers, the one involving the use of organometallic complexes is probably the most successful one with a compound, namely ferroquine, already in clinical trial against malaria. In this study, we describe the preparation and in-...
The different combinations of molecular dynamics simulations with coarse-grained representations have acquired considerable popularity among the scientific community. Especially in biocomputing, the significant speedup granted by simplified molecular models opened the possibility of increasing the diversity and complexity of macromolecular systems,...
Sesquiterpene lactones are natural products of the Asteraceae family that have shown trypanocidal activity against Trypanosoma cruzi, even exceeding the effectiveness of drugs used in the treatment of American trypanosomiasis. However, there is no agreement on their mechanism of action and their specificity to interact with parasite proteins. For t...
Quinones are attractive pharmacological scaffolds for developing new agents for the treatment of different transmissible and non-transmissible human diseases due to their capacity to alter the cell redox homeostasis.
The bioactivity and potential mode of action of 19 p-quinone derivatives fused to different aromatic rings (carbo or heterocycles) an...
2022) Development of 3D-QSAR and pharmacophoric models to design new anti-Trypanosomacruzi agents based on 2-aryloxynaphthoquinone scaffold, SAR and QSAR in Environmental Research, 33:9, 701-728, ABSTRACT In this work we have collected a set of 30 trypanosomicidal naphtho-quinones and developed pharmacophoric and 3D-QSAR models as tools for the des...
The pyrazolo[1,5-a]pyrimidine ring system constitutes a privileged scaffold for developing drug-like compounds, whose biologic activity is dictated by the nature and position of the substituents on the heterocyclic core. Herein, we report the synthesis of nine 2,7-diarylpyrazolo[1,5-a]pyrimidine derivatives and the assessment of their antitumor act...
A set of new 2,6,9‐trisubstituted purine derivatives were designed and synthesized from 6‐chloro‐2‐fluoro‐9‐alkyl‐9H‐purine as the key starting material. These purines were synthesized via a multistep protocol and finally subjected to SNAr with various aminopiperidinyl salts. The structures of these compounds were established by substantiating them...
