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Hire Dr. Leonardo Bruno F.
Brazil
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PhD Scientist | Product Safety | in-silico Drug Discovery | SBDD | LBDD | Machine Learning | Python
Profile Summary
Subject Matter Expertise
Services
Work Experience
coordinator
Natura (Brazil)
May 2021 - Present 
Professor
Centro Universitário da Fundação Educacional de Barretos
2014 - 2014
Professor
Universidade José do Rosário Vellano
2013 - 2013
Professor
Universidade do Vale do Sapucaí
2013 - 2013
Professor
Universidade Vale do Rio Verde
2010 - 2011
Education
post doctoral (Pharmaceutical Chemistry)
Universidade de São Paulo Faculdade de Ciências Farmacêuticas de Ribeirão Preto
April 2023 - Present
post doctorate
Universidade de São Paulo Faculdade de Ciências Farmacêuticas de Ribeirão Preto
March 2019 - February 2021
Post doctorate
Universidade de São Paulo Faculdade de Ciências Farmacêuticas de Ribeirão Preto
June 2017 - July 2018
PhD (Chemistry)
Universidade de São Paulo Faculdade de Filosofia Ciências e Letras de Ribeirão Preto
2013 - 2016
PhD (Pharmacy)
Universidad de Granada
2013 - 2016
Master (Chemistry)
Universidade Federal de Alfenas
January 2010 - 2012
Graduate (Chemistry)
Universidade Federal de Alfenas
2004 - 2008
Certifications
- Certification details not provided.
Publications
JOURNAL ARTICLE
Leonardo Bruno Federico, Suzane Quintana Gomes, Guilherme Martins Silva, Carla Duque Lopes, Sérgio de Albuquerque, Carlos Henrique Tomich de Paula da Silva (2023). Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome . Journal of Biomolecular Structure and Dynamics.
Leonardo Bruno Federico, Mariana Pegrucci Barcelos, Suzane Quintana Gomes, Isaque Isaque Antonio Galindo Francischini, Anderson Luiz Pena da Costa, Lorane Izabel da Silva Hage-Melim, Carlos Henrique Tomich de Paula da Silva (2022). How Basic Programming Knowledge can Help the Drug Discovery Process . Non-destructive Testing and Repair of Pipelines.
Leonardo Bruno Federico, Mariana Pegrucci Barcelos, Suzane Quintana Gomes, Isaque Antonio Galindo Francischini, Lorane Izabel da Silva Hage-Melim, Guilherme Martins Silva, Carlos Henrique Tomich de Paula da Silva (2022). Lead Optimization in Drug Discovery . Non-destructive Testing and Repair of Pipelines.
Neto, Raimundo de A. M., Santos, Cleydson B. R., Henriques, Shayanne V. C., Machado, Leticia de O., Cruz, Jorddy N., da Silva, Carlos H. T. de P., Federico, Leonardo B., de Oliveira, Edivaldo H. C., de Souza, Michel P. C., da Silva, Patricia N. B., et al. (2022). Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations . Journal of Biomolecular Structure and Dynamics.
Leonardo Bruno Federico, Guilherme Martins Silva, Suzane Quintana Gomes, Isaque Antonio Galindo Francischini, Mariana Pegrucci Barcelos, Cleydson Breno Rodrigues dos Santos, Luciano T. Costa, Joaquín María Campos Rosa, Carlos Henrique Tomich de Paula da Silva (2021). Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA . Computers in Biology and Medicine.
Leonardo Bruno Federico and Guilherme Martins Silva and Suzane Quintana Gomes and Isaque Antonio Galindo Francischini and Mariana Pegrucci Barcelos and Cleydson Breno Rodrigues dos Santos and Luciano T. Costa and Joaqu{\'{\i}}n Mar{\'{\i}}a Campos Rosa and Carlos Henrique Tomich de Paula da Silva(2021). Potential Colchicine Binding Site Inhibitors Unraveled by Virtual Screening, Molecular Dynamics and MM/PBSA . Computers in Biology and Medicine. p. 104817. Elsevier {BV}
Leonardo Bruno Federico, Guilherme Martins Silva, Lorane Izabel da Silva Hage-Melim, Suzane Quintana Gomes, Mariana Pegrucci Barcelos, Isaque Antônio Galindo Francischini, Carlos Henrique Tomich de Paula da Silva(2021). Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening . Future Medicinal Chemistry. 13. (16). p. 1353--1366. Future Science Ltd
Guilherme M. Silva, Rosivaldo S. Borges, Kelton L. B. Santos, Leonardo B. Federico, Isaque A. G. Francischini, Suzane Q. Gomes, Mariana P. Barcelos, Rai C. Silva, Cleydson B. R. Santos, Carlos H. T. P. Silva(2021). Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases . International Journal of Molecular Sciences. 22. (15). p. 8252. {MDPI} {AG}
Guilherme M. Silva and Rosivaldo S. Borges and Kelton L. B. Santos and Leonardo B. Federico and Isaque A. G. Francischini and Suzane Q. Gomes and Mariana P. Barcelos and Rai C. Silva and Cleydson B. R. Santos and Carlos H. T. P. Silva(2021). Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases . International Journal of Molecular Sciences. 22. (15). p. 8252. {MDPI} {AG}
Leonardo Bruno Federico, Guilherme Martins Silva, Rosivaldo S. Borges, Kelton Luis Belém Santos, Isaque Francischini, Suzane Q. Gomes, Mariana P. Barcelos, Rai C. Silva, Cleydson Breno Rodrigues dos Santos, Carlos H. T. P. Silva (2021). Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases . International Journal of Molecular Sciences.
Leonardo Bruno Federico and Guilherme Martins Silva and Lorane Izabel da Silva Hage-Melim and Suzane Quintana Gomes and Mariana Pegrucci Barcelos and Isaque Ant{\^{o}}nio Galindo Francischini and Carlos Henrique Tomich de Paula da Silva(2021). Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening . Future Medicinal Chemistry. Future Science Ltd
Leonardo Bruno Federico and Guilherme Martins Silva and Amanda de Fraga Dias and Fabr{\'{\i}}cio Figueir{\'{o}} and Ana Maria Oliveira Battastini and Cleydson Breno Rodrigues dos Santos and Luciano T. Costa and Joaqu{\'{\i}}n Maria Carmpos Rosa and Carlos Henrique Tomich de Paula da Silva(2020). Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening . International Journal of Biological Macromolecules. 165. p. 3040--3050. Elsevier {BV}
Raimundo de A. M. Neto and Cleydson B. R. Santos and Shayanne V. C. Henriques and Let{\'{\i}}cia de O. Machado and Jorddy N. Cruz and Carlos H. T. de P. da Silva and Leonardo B. Federico and Edivaldo H. C. de Oliveira and Michel P. C. de Souza and Patr{\'{\i}}cia N. B. da Silva and Carlton A. Taft and Irlon M. Ferreira and Madson R. F. Gomes(2020). Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations . Journal of Biomolecular Structure and Dynamics. p. 1--13. Informa {UK} Limited
(2020). Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19 . Life Sciences.
Federico, Leonardo Bruno, Hage-Melim, Lorane Izabel da Silva, de Oliveira, Nayana Keyla Seabra, Francisco, Viviane Cristina Cardoso, Correia, Lenir Cabral, de Lima, Henrique Barros, Gomes, Suzane Quintana, Barcelos, Mariana Pegrucci, Francischini, Isaque Antonio Galindo, Silva, Carlos Henrique Tomich de Paula da (2020). Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19 . Life Sciences.
Leonardo Bruno Federico, Mariana Pegrucci Barcelos, Carlton A. Taft, Carlos H. T. de Paula da Silva (2020). Prediction of the Three-Dimensional Structure of Phosphate-6-mannose PMI Present in the Cell Membrane of Xanthomonas citri subsp. citri of Interest for the Citrus Canker Control .
Federico, Leonardo Bruno, Silva, Guilherme Martins, Dias, Amanda de Fraga, Figueiro, Fabricio, Oliveira Battastini, Ana Maria, Rodrigues dos Santos, Cleydson Breno, Costa, Luciano T., Carmpos Rosa, Joaquin Maria, Tomich de Paula da Silva, Carlos Henrique (2020). Identification of novel alpha beta-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening . International Journal of Biological Macromolecules.
Elenilze F. B. Ferreira, Luciane B. Silva, Glauber V. Costa, Josivan S. Costa, Mayara A. T. Fujishima, Rozires P. Leão, André L. S. Ferreira, Leonardo B. Federico, Carlos H. T. P. Silva, Joaquín M. C. Rosa, et al.(2019). Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening . Molecules. 24. (16). p. 2943. {MDPI} {AG}
(2019). Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening . Molecules.
Glauber V. da Costa, Elenilze F. B. Ferreira, Ryan da S. Ramos, Luciane B. da Silva, Ester M. F. de Sá, Alicia K. P. da Silva, Cássio M. Lobato, Raimundo N. P. Souto, Carlos Henrique T. de P. da Silva, Leonardo B. Federico, et al.(2019). Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos . Pharmaceuticals. 12. (2). p. 61. {MDPI} {AG}
Leonardo Bruno Federico, Glauber V. da Costa, Elenilze F. B. Ferreira, RAMOS, R. S., Luciane B. da Silva, Ester M. F. de Sá, Alicia K. P. da Silva, Cássio M. Lobato, Raimundo N. P. Souto, Carlos Henrique T. de P. da Silva, et al. (2019). Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos . Pharmaceuticals.
Barcellos, Mariana P., Santos, Cleydson B. R., Federico, Leonardo B., de Almeida, Paulo Fernando, de Paula da Silva, Carlos H. T., Taft, Carlton A. (2019). Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors . Journal of Biomolecular Structure and Dynamics.
Pascoini, A.L., Federico, L.B., Arêas, A.L.F., Verde, B.A., Freitas, P.G., Camps, I.(2019). In silico development of new acetylcholinesterase inhibitors . Journal of Biomolecular Structure and Dynamics. 37. (4). p. 1007-1021.
Pascoini, A. L., Federico, L. B., Areas, A. L. F., Verde, B. A., Freitas, P. G., Camps, I. (2019). In silico development of new acetylcholinesterase inhibitors . Journal of Biomolecular Structure and Dynamics.
Barcellos, M.P., Santos, C.B.R., Federico, L.B., Almeida, P.F.D., da Silva, C.H.T.D.P., Taft, C.A.(2019). Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors . Journal of Biomolecular Structure and Dynamics. 37. (4). p. 966-981.
da Costa, G.V., Ferreira, E.F.B., Ramos, R.S., da Silva, L.B., de Sá, E.M.F., da Silva, A.K.P., Lobato, C.M., Souto, R.N.P., da Silva, C.H.T.P., Federico, L.B., et al.(2019). Hierarchical virtual screening of potential insectides inhibitors of acetylcholinesterase and juvenile hormone from temephos . Pharmaceuticals. 12. (2).
Ferreira, Elenilze F. B., Silva, Luciane B., Costa, Glauber V., Costa, Josivan S., Fujishima, Mayara A. T., Leao, Rozires P., Ferreira, Andre L. S., Federico, Leonardo B., Silva, Carlos H. T. P., Rosa, Joaquin M. C., et al. (2019). Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening . Molecules.
Ferreira, E.F.B., Silva, L.B., Costa, G.V., Costa, J.S., Fujishima, M.A.T., Leão, R.P., Ferreira, A.L.S., Federico, L.B., Silva, C.H.T.P., Rosa, J.M.C., et al.(2019). Identification of new inhibitors with potential antitumor activity from polypeptide structures via hierarchical virtual screening . Molecules. 24. (16).
In silico development of new acetylcholinesterase inhibitors. @article {
author = {Pascoini AL and Federico LB and Arêas ALF and Verde BA and Freitas PG and Camps I},
title = {In silico development of new acetylcholinesterase inhibitors.},
journal = {Journal of biomolecular structure & dynamics},
year = {2018},
month = {apr},
url = {http://europepmc.org/abstract/med/29607738},
doi = {10.1080/07391102.2018.1447513}
} . Journal of biomolecular structure & dynamics.
Pascoini AL, Federico LB, Arêas ALF, Verde BA, Freitas PG, Camps I(2018). In silico development of new acetylcholinesterase inhibitors . Journal of biomolecular structure & dynamics.
Macêdo, W.J.C., Costa, J.S., Federico, L.B., Cruz, J.V., Carvalho, S.S., Ramos, R.S., Wanderley, D.D., Silva, C.H.T.P., Santos, C.B.R.(2018). A MLR and ADME/Tox study of new dihydroartemisinin compounds with antimalarial activity . Journal of Computational and Theoretical Nanoscience. 15. (6-7). p. 1785-1794.
(2018). A MLR and ADME/Tox Study of New Dihydroartemisinin Compounds with Antimalarial Activity . Journal of Computational and Theoretical Nanoscience.
Pereira, A.L.E., dos Santos, G.B., Franco, M.S.F., Federico, L.B., da Silva, C.H.T.P., Santos, C.B.R.(2018). Molecular modeling and statistical analysis in the design of derivatives of human dipeptidyl peptidase IV . Journal of Biomolecular Structure and Dynamics. 36. (2). p. 318-334.
Pereira, Alison L. E., dos Santos, Gabriela B., Franco, Marcia S. F., Federico, Leonardo B., da Silva, Carlos H. T. P., Santos, Cleydson B. R. (2018). Molecular modeling and statistical analysis in the design of derivatives of human dipeptidyl peptidase IV . Journal of Biomolecular Structure and Dynamics.
Diniz, E.M.L.P., Tomich de Paula da Silva, C.H., Gómez-Perez, V., Federico, L.B., Campos Rosa, J.M.(2017). GRIND2-based 3D-QSAR and prediction of activity spectra for symmetrical bis-pyridinium salts with promastigote antileishmanial activity . Journal of Biomolecular Structure and Dynamics. 35. (11). p. 2430-2440.
Federico, Leonardo Bruno, Lopes Pina Diniz, Evelyn Mirella, Tomich de Paula da Silva, Carlos Henrique, Gomez-Perez, Veronica, Campos Rosa, Joaquin Maria (2017). GRIND2-based 3D-QSAR and prediction of activity spectra for symmetrical bis-pyridinium salts with promastigote antileishmanial activity . Journal of Biomolecular Structure and Dynamics.
Federico, L.B., Dos Santos, C.B.R., Lobato, C.C., Gomes, J.S., Rosa, J.M.C., Da Silva, C.H.T.P.(2017). Ligand-and structure-based drug design of novel calcium channel blockers . Journal of Computational and Theoretical Nanoscience. 14. (7). p. 3489-3502.
Volpini, J.G.A., Rodrigues, R.P., Federico, L.B., da Silva, C.H.T.P.(2014). Structure-based drug design of novel MARK-3 inhibitors in cancer . Current Bioactive Compounds. 10. (2). p. 131-138.
BOOK CHAPTER
Leonardo Bruno Federico(2022). How Basic Programming Knowledge can Help the Drug Discovery Process . Research Topics in Bioactivity, Environment and Energy. p. 583--602. Springer International Publishing
Leonardo Bruno Federico(2022). Lead Optimization in Drug Discovery . Research Topics in Bioactivity, Environment and Energy. p. 481--500. Springer International Publishing
Guilherme Martins Silva and Leonardo Bruno Federico and Vinicius Medeiros Alves and Carlos Henrique Tomich de Paula da Silva(2021). In Silico Methods to Predict Relevant Toxicological Endpoints of Bioactive Substances . Functional Properties of Advanced Engineering Materials and Biomolecules. p. 649--676. Springer International Publishing
Leonardo Bruno Federico and Mariana Pegrucci Barcelos and Gulherme Martins Silva and Isaque Antonio Galindo Francischini and Carlton A. Taft and Carlos Henrique Tomich de Paula da Silva(2021). Key Aspects for Achieving Hits by Virtual Screening Studies . Functional Properties of Advanced Engineering Materials and Biomolecules. p. 455--487. Springer International Publishing
Rai C. Silva and Irlon M. Ferreira and Leonardo Bruno Federico and Lorane Izabel da Silva Hage-Melim and Williams J. C. Mac{\^{e}}do and Andr{\'{e}} L. M. Porto and Carlton A. Taft and Carlos H. T. P. Silva and Cleydson Breno Rodrigues dos Santos(2021). ADME/Tox Study and Molecular Dynamics Simulations Applied in the Design of New Potential GABA-AT Inhibitors . Functional Properties of Advanced Engineering Materials and Biomolecules. p. 719--738. Springer International Publishing
(2020). Prediction of the Three-Dimensional Structure of Phosphate-6-mannose PMI Present in the Cell Membrane of Xanthomonas citri subsp. citri of Interest for the Citrus Canker Control . Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies.
CONFERENCE POSTER
(2021). Modelagem e análise comparativa entre as fosfomanoses isomerases humana e de Xanthomonas sp, para o desenvolvimento de inibidores contra o cancro cítrico. XXI Simpósio Brasileiro de Química Teórica (SBQT).
Homology modeling of Xanthomonas citri phosphomanose isomerase of interest for citrus canker @misc {
author = {Mariana Pegrucci Barcelos and Federico, Leonardo B. and Carlos Henrique Tomich de Paula da Silva},
title = {Homology modeling of Xanthomonas citri phosphomanose isomerase of interest for citrus canker},
year = {2019}
}. 12th International Conference of Pharmaceutical Sciences.
Homology modelling, structure- and ligand-based drug design of novel calcium channel blockers with leishmanicidal activities @misc {
author = {Carlos Henrique Tomich de Paula da Silva and Federico, Leonardo B. and Laura M. Alcântara and Carolina B. Moraes and Lucio H. Freitas-Junior and Joaquín María Campos Rosa},
title = {Homology modelling, structure- and ligand-based drug design of novel calcium channel blockers with leishmanicidal activities},
year = {2017}
}. 10th Joint Meeting on Medicinal Chemistry.
Homology moddelling, structure- and ligand- based durg design of novel calcium channel blockers with leishmanicidal activities. @misc {
author = {Carlos Henrique Tomich de Paula da Silva and Federico, Leonardo B. and Joaquín María Campos Rosa},
title = { Homology moddelling, structure- and ligand- based durg design of novel calcium channel blockers with leishmanicidal activities. },
year = {2016}
}. International Conference on Medicinal and Pharmaceutical Chemistry.
In silico development of new acetylcholinesterase inhibitors @misc {
author = {Ihosvany Camps Rodríguez and Ana L Pascoini and Federico, Leonardo B. and Ana L F Area and Barbara A Verd},
title = {In silico development of new acetylcholinesterase inhibitors},
year = {2016}
}. 6th International Conference on Structural Biology.
PATENT
USO DE COMPOSTOS QUÍMICOS INIBIDORES DA FOSFOMANOSE ISOMERASE PARA CONTROLE DO CANCRO CÍTRICO E FITOPATOLOGIAS ASSOCIADAS AO GÊNERO XANTHOMONAS @patent {
author = {Federico, Leonardo B.},
title = {USO DE COMPOSTOS QUÍMICOS INIBIDORES DA FOSFOMANOSE ISOMERASE PARA CONTROLE DO CANCRO CÍTRICO E FITOPATOLOGIAS ASSOCIADAS AO GÊNERO XANTHOMONAS},
nationality = {BR},
dayfiled = {04},
yearfiled = {2021},
monthfiled = {may},
day = {04},
year = {2021},
month = {may}
}.
(2021). USE OF CHEMICAL COMPOUNDS INHIBITING PHOSPHOMANOSIS ISOMERASE TO CONTROL CITRIC CANCER AND PHYTOPATHOLOGIES ASSOCIATED WITH THE GENUS XANTHOMONAS/ USO DE COMPOSTOS QUÍMICOS INIBIDORES DA FOSFOMANOSE ISOMERASE PARA CONTROLE DO CANCRO CÍTRICO E FITOPATOLOGIAS ASSOCIADAS AO GÊNERO XANTHOMONAS.
CONFERENCE ABSTRACT
Consensus docking studies for the development of new colchicine binding site inhibitors with potential activity tubulin polymerization destabilizers @inproceedings {
author = {Federico, Leonardo B. and Guilherme Martins Silva and Joaquín María Campos Rosa and Carlos Henrique Tomich de Paula da Silva},
title = { Consensus docking studies for the development of new colchicine binding site inhibitors with potential activity tubulin polymerization destabilizers},
pages = {028},
year = {2020}
}. EFMC-ISMC & EFMC-YMCS.
Prospective virtual screening of natural products as potential Sars-Cov-2 Mpro Inhibitors. @inproceedings {
author = {Guilherme Martins Silva and Federico, Leonardo B. and Mariana Pegrucci Barcelos and Suzane Quintana Gomes and Isaque Antônio Galindo Francischini and Carlos Henrique Tomich de Paula da Silva},
title = { Prospective virtual screening of natural products as potential Sars-Cov-2 Mpro Inhibitors.},
pages = {021},
year = {2020}
}. EFMC-ISMC & EFMC-YMCS, 2020.
Computer aidded design of new inhibitors of acetylcholinesterase @inproceedings {
author = {Camps, Ihosvany and Pascoini, Ana and Federico, Leonardo and Arêa, Ana and Verde, Barbara},
title = {Computer aidded design of new inhibitors of acetylcholinesterase},
year = {2017},
month = {jan},
doi = {10.3390/mol2net-02-03861}
} . MDPI in MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition session CHEMXEDIT-02.
CONFERENCE PAPER
(2016). Computer aidded design of new inhibitors of acetylcholinesterase. In: MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition, 2017, Sciforum.net. Proceedings of MOL2NET 2016.
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