I am a Research Associate at the Institute of Chemistry, University of São Paulo (IQ-USP), Department of Chemistry, and a FAPESP Young Investigator (grant 2023/15933-4). I lead the LIBNM · Ferreira Lab (Integrative Laboratory for the Bioprospecting of New Molecules).
I hold a BSc in Pharmacy (UFES) and a PhD in Pharmaceutical Sciences, Medicinal Chemistry (USP), with postdoctoral training at FCF-USP, the University of Tübingen and the Dante Pazzanese Institute of Cardiology. My work combines molecular modeling, molecular dynamics and data science to understand how proteins move, are regulated and interact with drugs, and to apply this to the rational design of new medicines.
Current project: a molecular-modeling drug screening platform (MMDSP) that generates molecular and preclinical evidence for a new lipid-lowering drug targeting PCSK9.
- 🧬 Molecular dynamics of proteins, protein–protein and protein–ligand complexes
- 🧭 Markov state models (MSM), principal component analysis (PCA) and allosteric signal transduction
- 💊 Computational medicinal chemistry: docking, virtual screening and structure-based drug design
- 🫀 Dyslipidemia and familial hypercholesterolemia: PCSK9, LDLR and the effect of missense variants
- 🦠 Antiviral targets: SARS-CoV-2 proteases (Mpro and PLpro)
- 🧪 Nuclear receptors: FXR/RXR heterodimers and steroidal antagonists
- 🧫 Neglected diseases: Trypanosoma cruzi sirtuin 2 inhibitors
| Repository | Description |
|---|---|
| PCSK9-analysis | PCA of MD simulations of the PCSK9–LDLR complex and the effect of missense variants found in Brazilian familial hypercholesterolemia patients |
| LDLR-analysis | LDLR simulations in a membrane and the impact of missense variants on conformation and intramolecular interactions |
| FXR-RXR_analysis | Allosteric signal transduction in FXR/RXR heterodimers bound to steroidal antagonists (MSM, inter-domain angles) |
| NR_MSM | Markov state models for nuclear receptors |
| pcaanalysismrpo | SARS-CoV-2 Mpro conformational changes induced by covalently bound ligands |
| plpronalysis | SARS-CoV-2 papain-like protease: inhibitor accessibility promoted by the BL2 loop |
| SurA | Markov state model analysis of the periplasmic chaperone SurA |
| ferreira-lab-site | Source of the LIBNM · Ferreira Lab website (ferreiralab.com.br) |
💻 Languages and data analysis
🧬 Molecular modeling and simulation
🌐 Web and outreach
Open to collaborations in molecular modeling, molecular dynamics simulation and drug discovery, and to supervising undergraduate, MSc, PhD and postdoctoral researchers. See the group website at ferreiralab.com.br, write to gmf@usp.br or reach me on LinkedIn.