CV Lattes
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Universidade de São Paulo (USP). Instituto de Química de São Carlos (IQSC) (Institutional affiliation for the last research proposal) Birthplace: Brazil
Graduated in Chemistry - Oswaldo Cruz (1981), MSc in Organic Chemistry (1987) and a Ph.D. in Organic Chemistry from the University of São Paulo (1991). In 1995, held a postdoctoral fellowship in Medicinal Chemistry under the supervision of Michael Tute, Pfizer / University of Kent, UK. In 2003, obtained the title of Associate Professor at the Institute of Chemistry, USP. He is currently full professor at the Institute of Chemistry of São Carlos, University of São Paulo. Has experience in the area of chemistry, with an emphasis on Medicinal Chemistry, acting on the following topics: hypothesis driven molecular design, machine learning and biocalorimetry. He is currently a member of the editorial board of the Journal of Medicinal Chemistry, Chemical Biology & Drug Design and also Associate Editor of Frontiers in Drug Discovery - Anti-Infective Agents. (Source: Lattes Curriculum)
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The current worldwide outbreak of the coronavirus with a pandemic declared by the World Health Organization (WHO) is beginning to strike in Brazilian lands. This pandemic urged us to start an emergency project in the search for new proteases inhibitors of the main coronavirus protease (SARS Cov-2 Mpro) as antiviral agents acting on the coronavirus. Several cysteine protease inhibitors (CP…
The prediction of the binding affinity has been a computational challenge, since binding process consists in multiple steps. In this propose, we will study the relationship between the relative biding free energy and the experimental data using computational approaches such as Free Energy Perturbation (FEP), molecular dynamics simulations and quantum mechanics/molecular mechanics (QM/MM).…
(Only some records are available in English at this moment)
New treatments for neglected tropical diseases are needed, and peptidomimetic compounds, which inhibit cysteine proteases and are more stable than peptides, show great promise as new oral drugs, more effective and with fewer side effects than current treatments. Recent studies have shown that some compounds of this class, despite having great inhibitory activity for enzymes, have not been…
The current outbreak of the COVID-19 and its subsequently classification of pandemic have led everyone's attention. Considering the fact that there is no treatment for SARS-CoV and MERS-CoV, it is urgent the development of a treatment that is able to act on the main protease of the SARS-CoV-2. This project focuses on the synthesis of novel inhibitors that acts on SARS-CoV-2 Mpro and also …
The current worldwide outbreak of the Coronavirus with a pandemic declared by the World Health Organization (WHO) is beginning to strike in Brazilian lands. This pandemic urged us to start an emergency project in the search for new proteases inhibitors of the main Coronavirus protease (SARS Cov-2 Mpro) as antiviral agents actingon the Coronavirus. Several Cysteine Protease Inhibitors (CPs…
Cruzain, the main cysteine protease of Trypanosoma cruzi, is an essential enzyme for the life cycle of the parasite and has been used in the NEQUIMED/IQSC/USP group for the identification of new trypanocidal agents. The substances synthesized in in the group in the era of the thematic project FAPESP #2013/18009-4, are active against cruzain in concentrations of low-nanomolar down to sub-n…
(Only some records are available in English at this moment)
The pandemic of COVID-19 has drawn everyone's attention. Unfortunately, since the appearanceof the SARS and MERS viral infections in the 2000s, no treatments have been developed thusfar. Therefore, it is urgent the production of a molecule to serve as a treatment that can actagainst SARS-CoV-2, the causative agent of COVID-19. This project aims at synthesizing novelinhibitors that can pot…
Cruzain is an established target for the identification of novel trypanocidal agents, but how good are in vitro/in vivo correlations for active compounds? This project aims at the development of computational models for the prediction of the properties of cruzain inhibitors that are Trypanosoma cruzi killers. We will systematically analyze structure-activity relationships (SARs), visualiz…
The proponent is a FAPESP fellow (process 2013/01128-0), which is linked to the thematic project 2013/18009-4 under my supervision and presents this project of work to request a BEPE type scholarship to the University of Washington in Seattle, USA, under the supervision of Prof. Michael Gelb. Our best cruzain inhibitors (sub-micromolar) kill T. cruzi in varying concentrations and several …
In the last few years, our research group has been focusing on the design of inhibitors targeting the enzyme dihydroorotate dehydrogenase from Trypanosoma Cruzi (TcDHODH). In order to accomplish this, we have applied computational and biochemical methods to investigate structural and catalytic mechanism properties which might be useful to the identification of small molecules able to modu…
| 21 / 18 | Completed research grants |
| 1 / 1 | Ongoing scholarships in Brazil |
| 24 / 21 | Completed scholarships in Brazil |
| 1 / 1 | Ongoing scholarships abroad |
| 3 / 3 | Completed scholarships abroad |
| 50 / 44 | All research grants and scholarships |
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