Published Papers
Valli, M.; Döring, T.H.; Marx, E.; Ferreira, L.G.G.; Medina-Franco, J.L.; Andricopulo, A.D. Neglected Tropical Diseases: A Chemoinformatics Approach for the Use of Biodiversity in Anti-Trypanosomatid Drug Discovery. Biomolecules, 14(8), 1033, 2024. (doi.org/10.3390/biom14081033)
Gómez-García, A.; Prinz, A.K.; Jiménez, D.A.A.; Zamora, W.J.; Barazorda-Ccahuana, H.L.; Chávez-Fumagalli, M.A.; Valli, M.; Andricopulo, A.D.; Bolzani, V.S.; Olmedo, D.A.; Solís, P.N.; Núñez, M.J.; Pérez, J.R.R.; Sánchez, H.A.V.; Hernández, H.F.C.; Martinez, O.M.M.; Koch, O.; Medina-Franco, J.L. Updating and profiling the natural product-likeness of Latin American compound libraries. Molecular Informatics, 43:e202400052, 2024. (doi.org/10.1002/minf.202400052)
Dias, L.C.; Espinoza-Chávez, R.M.; Rezende Júnior, C.O.; de Souza, M.L.; Chelucci, R.C.; Michelan-Duarte, S.; Ferreira, L.L.G.; Valli, M.; de Oliveira, A.S.; Andricopulo, A.D. Structure-Metabolism Relationships of benzimidazole derivatives with anti-Trypanosoma cruzi activity for Chagas disease. ChemMedChem, e202400293, 2024. (doi.org/10.1002/cmdc.202400293)
Fernandes, P.O.; Dias, A.L.T.; dos Santos Júnior, V.S.; Serafim, M.S.M.; Sousa, Y.V.; Monteiro, G.C.; Coutinho, I.D.; Valli, M.; Verzola, M.M.S.A.; Ottoni, F.M.; Pádua, R.M.; Oda, F.B.; dos Santos, A.G.; Andricopulo, A.D.; Bolzani, V.S.; Mota, B.E.F.; Alves, R.J.; de Oliveira, R.B.; Kronenberger, T.; Maltarollo, V.G. Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus. Journal of Chemical Information and Modeling, 1(1), 2024. (doi.org/10.1021/acs.jcim.4c00087)
Wallach, I.; Bernard, D.; Nguyen, K.; Valli, M. et al. The Atomwise AIMS Program. AI is a viable alternative to high throughput screening: a 318-target study. Scientific Reports, 14(7526), 2024. (doi.org/10.1038/s41598-024-54655-z)
Espinoza-Chávez, R.M.; Rezende Júnior, C.O.; de Souza, M.L.; Pauli, I.; Valli, M.; Ferreira, L.L.G.; Chelucci, R. C.; Michelan-Duarte, S.; da Silva, F.B.R.; Cruz, F.C.; de Oliveira, A.S.; Andricopulo, A.D.; Dias, L.C. Structure–activity relationships of novel N-imidazoylpiperazines with potent anti-Trypanosoma cruzi activity. Future Medicinal Chemistry, 16(3), 2024. (doi.org/10.4155/fmc-2023-0185)
Gómez-García, A.; Jiménez, D.A.A.; Zamora, W.J.; Barazorda-Ccahuana, H.L.; Chávez-Fumagalli, M.Á.; Valli, M.; Andricopulo, A.D.; Bolzani, V.S.; Olmedo, D.A.; Solís, P.N.; Núñez, M.J.; Pérez, J.R.R.; Sánchez, H.A.V.; Hernández, H.F.C.; Medina-Franco, J.L. Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB. Pharmaceuticals, 30(16), 1388, 2023. (doi.org/10.3390/ph16101388)
do Carmo, P.R.V; Marcacini, R.; Valli, M.; Silva-Silva, J.V.; Ferreira, L.L.G.; Pilon, A.C.; Bolzani, V.S.; Andricopulo, A.D.; Marx, E. Development of a novel chemoinformatics tool for natural products databases. Future Drug Discovery, 5(2), 2023. (doi.org/10.4155/fdd-2023-0007).
Mannochio-Russo, H.; dos Santos, A.L.P.; Bueno, P.C.P.; Vieira, R.; Pinto, M.E.F.; Queiroz, S.A.S.; Dutra, L.A.; Felippe, L.G.; Batista, A.N.L.; Souza-Moreira, T.M.; Valli, M.; Medina, R.P.; Araujo, A.R.; Pilon, A.C.; Castro-Gamboa, I.; Cavalheiro, A.J.; Silva, D.H.S.; Furlan, M.; Bolzani, V.S. Twenty-five years of natural products research in NuBBE. Frontiers in Natural Products, 2:1252092, 2023. (doi.org/10.3389/fntpr.2023.1252092).
Alves, N.F.; Ribeiro, D.C.; Mannochio-Russo, H.; Queiroz, S.A.S.; Zocolo, G.J.; Bolzani, V.S.; Valli, M. Advanced Glycation End Products Inhibitors from Talisia esculenta. Revista Virtual de Química, 15, 1, 2023. (doi.org/10.21577/1984-6835.20230019).
Bueno, P.C.P.; Valli, M; Moreira, E.A.; Mannochio-Russo, H; Nascimento, V. Younger Researchers of the Brazilian Chemical Society: a network fostering representation, communication, and collaboration. RSC Advances, 13, 24331-24332, 2023. (doi.org/10.1039/D3RA90072J).
Teles, H.R.; Valli, M.; Ferreira, Leonardo L.G.; Andricopulo, A.D. Molecular Modeling, Virtual Screening and Molecular Dynamics for Leishmania infantum Methionyl-tRNA Synthetase. The Journal of Physical Chemistry B, 126, 51, 10834–10843, 2022. (doi.org/10.1021/acs.jpcb.2c05427).
Bajorath, J.; Chávez-Hernández, A.L.; Duran-Frigola, M; Valli, M. et al. Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. Journal of Cheminformatics, 14, 82, 2022. (doi.org/10.1186/s13321-022-00661-0).
Valli, M.; Souza, J.M.; Chelucci, R.C.; Biasetto, C.R.; Araujo, A.R.; Bolzani, V.S.; Andricopulo, A.D. Identification of natural cytochalasins as leads for neglected tropical diseases drug discovery. PLoS One, 17, e0275002, 2022 (doi.org/10.1371/journal.pone.0275002).
Chipoline, I.C.; Brasil, B.F.A.B; Neto, J.S.S.; Valli, M.; Cenci, A.R.; Teixeira, K.F.; Zapp, D.; Brondani, D.; Ferreira, L.L.G.; Andricopulo, A.D.; de Oliveira, A.S.; Nascimento, V. Synthesis and investigation of the trypanocidal potential of novel 1,2,3-triazole-selenide hybrids. European Journal of Medicinal Chemistry, 243, 114687, 2022 (doi.org/10.1016/j.ejmech.2022.114687).
Teles, H. R.; Ferreira, L. L. G.; Valli, M.; Andricopulo, A. D. Hierarchical Clustering and Target-Independent QSAR for Antileishmanial Oxazole and Oxadiazole Derivatives. International Journal of Molecular Sciences, 23(16), 8898, 2022 (doi.org/10.3390/ijms23168898).
Oliveira, A.S.; Valli, M.; Ferreira, L.G.; Souza, J.M.; Meier,L.; Abreu, H.R.; Voltolini, B.G.; Llanes, L.C.; Nunes, R.J.; Braga, A.L.; Andricopulo, A.D. Novel Trypanocidal Thiophen-Chalcone Cruzain Inhibitors: Structure- and Ligand-Based Studies. Future Medicinal Chemistry, 14(11), 795-808, 2022 (doi.org/10.4155/fmc-2022-0013).
Ntie-Kang, F.; Telukunta, K.K.; Fobofou, S.A.T.; Osamor, V.C.; Egieyeh, S. A.; Valli, M. et al. Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop. Journal of cheminformatics, 13(1), 1-11, 2021 (doi.org/10.1186/s13321-021-00546-8).
Zeraik, M. L.; Pauli, I.; Dutra, L. A.; Cruz, R. S.; Valli, M.; Paracatu, L. C.; de Faria, C. M. Q. G.; Ximenes, V.; Regasini, L. O.; Andricopulo, A. D.; Bolzani, V. S. Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies. Molecules, 26(8), 2205, 2021 (doi.org/10.3390/molecules26082205).
Valli, M. Planejamento de Fármacos para a COVID-19 e a Inovação Farmacêutica a partir de Produtos Naturais. Revista Virtual de Química, 13(1), 1, 2021 (doi.org/10.21577/1984-6835.20210001).
Valli, M.; Atanázio, L.C.V.; Monteiro, G.C.; Coelho, R.R.; Demarque, D.P.; Andricopulo, A.D.; Espindola, L.S.; Bolzani, V.S. The potential of biologically active Brazilian plant species as a strategy to search for molecular models for mosquito control. Planta Medica, 87(01/02), 6-23, 2021 (doi.org/10.1055/a-1320-4610).
de Freitas, L.; Valli, M.; Dametto, A. C.; Pennacchi, P. C.; Andricopulo, A. D.; Maria-Engler, S. S.; Bolzani, V. S. Advanced Glycation End Product Inhibition by Alkaloids from Ocotea paranapiacabensis for the Prevention of Skin Aging. Journal of Natural Products, 83(3), 649-656, 2020 (doi.org/10.1021/acs.jnatprod.9b01083).
Asse Jr., L. R.; Kronenberger, T.; Serafim, M. S. M.; Sousa, Y. V.; Franco, I. D.; Valli, M.; Bolzani, V. S.; Monteiro, G. C.; Prates, J. L. B.; Kroon, E. G.; Mota, B. E. F.; Ferreira, D. S.; Oliveira R. B.; Maltarollo, V. G. Virtual screening of antibacterial compounds by similarity search of Enoyl-ACP reductase (FabI) inhibitors. Future Medicinal Chemistry, 12(1), 51-68, 2020 (doi.org/10.4155/fmc-2019-0158).
Valli, M.; Russo, H. M.; Pilon, A. C.; Pinto, M. E. F; Dias, N. B.; Freire, R. T.; Castro-Gamboa, I.; Bolzani, V. S. Computational Methods for NMR and MS for Structure Elucidation II: Database Resources and Advanced Methods, Physical Sciences Reviews, 4(11), 20180167, 2019 (doi.org/10.1515/psr-2018-0167).
Valli, M.; Russo, H. M.; Pilon, A. C.; Pinto, M. E. F; Dias, N. B.; Freire, R. T.; Castro-Gamboa, I.; Bolzani, V. S. Computational Methods for NMR and MS for Structure Elucidation I: software for basic NMR, Physical Sciences Reviews, 4(10), 20180108, 2019 (doi.org/10.1515/psr-2018-0108).
Koulouridi, E.; Valli, M.; Ntie-Kang, F.; Bolzani, V. S. A primer on natural product-based virtual screening. Physical Sciences Reviews, 4(6), 20180105, 2019 (doi.org/10.1515/psr-2018-0105).
Valli, M.; Bolzani, V. Natural Products: Perspectives and Challenges for use of Brazilian Plant Species in the Bioeconomy. Anais da Academia Brasileira de Ciencias, 91(3), e20190208, 2019 (doi.org/10.1590/0001-3765201920190208).
Santos, N. C. F.; Valli, M.; Bolzani, V. S. A Brief Overview on Brazilian Women in Chemistry. Pure and Applied Chemistry, 91(4), 743-749, 2019 (doi.org/10.1590/0001-3765201920190208).
Batiga, S.; Valli, M.; Zeraik, M. L.; Fraige, K.; Leme, G. M.; Pitangui, N. S.; Almeida, A. M. F.; Michel, S.; Young, M. C. M.; Bolzani, V. S. Chemical composition and biological properties of Ipomoea procumbens . Brazilian Journal of Pharmacognosy, 29, 191–197, 2019 (doi.org/10.1016/j.bjp.2018.08.010).
Saldívar-González, F. I.; Valli, M.; Andricopulo, A. D.; Bolzani, V. S.; Medina-Franco, J. L. Chemical space and diversity of NuBBE database: A chemoinformatic characterization. Journal of Chemical Information and Modeling, 59, 74-85, 2019 (doi.org/10.1021/acs.jcim.8b00619).
Bosc, E.; Nastri, J.; Lefort, V.; Valli, M.; Contiguiba, F.; Pioli, R.; Furlan, M.; Bolzani, V.S.; El Amri, C.; Reboud-Ravaux, M. Piperlongumine and some of its analogs inhibit selectively the human immunoproteasome over the constitutive proteasome. Biochemical and Biophysical Research Communications, 496, 3, 961-966, 2018 (doi.org/10.1016/j.bbrc.2018.01.100).
Valli, M.; Russo, H.; Bolzani, V. S. The potential contribution to bioeconomy of the natural products from Brazilian biodiversity. Anais da Academia Brasileira de Ciencias, 90, Issue 1, suppl.1, 63-778, 2018 (doi.org/10.1590/0001-3765201820170653).
Pilon, A. C.; Valli, M.; Dametto, A. C.; Pinto, M. E. F.; Freire, R. T.; Castro-Gamboa, I.; Andricopulo, A. D.; Bolzani, V. S. NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity. Scientific Reports, 7, 7215, 2017 (doi.org/10.1038/s41598-017-07451-x).
Valli, M.; Altei, W.; dos Santos, R.; De Lucca Jr., E.; Dessoy, M.; Pioli, R.; Cotinguiba, F.; Cachet, X.; Michel, S.; Furlan, M.; Dias, L.; Andricopulo, A.; Bolzani, V. Synthetic Analogue of the Natural Product Piperlongumine as a Potent Inhibitor of Breast Cancer Cell Line Migration. Journal of the Brazilian Chemical Society, 28, 475-484, 2017 (doi.org/10.21577/0103-5053.20160303).
Valli, M.; Young, M. C. M.; Bolzani, V. S. A Beleza Invisível da Biodiversidade: O Táxon Rubiaceae. Revista Virtual de Química, 8, 296-310, 2016 (doi.org/10.5935/1984-6835.20160020).
Valli, M.; Betti, A. H.; Danuello, A.; Pivatto, M.; Centurião, F.; Antonio, C. B.; Rates, S. M. K.; Bolzani, V. S. Pyridinic analog of the natural product (−)-spectaline as potential adjuvant for the treatment of central nervous system disorders. Bioorganic & Medicinal Chemistry Letters, 25(10), 2247-2250, 2015 (doi.org/10.1016/j.bmcl.2015.02.050).
Valli, M.; dos Santos, R.N.; Figueira, L.D.; Nakajima, C.H.; Andricopulo, A.D.; Bolzani, V.S. Development of a Natural Products Database from the Biodiversity of Brazil. Journal of Natural Products, 76(3), 439-444, 2013 (doi.org/10.1021/np3006875).
Valli, M.; Pivatto, M.; Danuello, A.; Silva, D.H.S.; Castro-Gamboa, I.; Cavalheiro, A.J.; Araújo, A.R.; Furlan, M.; Lopes, M.N.; Bolzani, V.S. The Tropical Biodiversity: has it been a potential source of secondary metabolites useful for medicinal chemistry? Química Nova, 35(11), 2278-2287, 2012 (doi.org/10.1590/S0100-40422012001100036).
Bolzani, V.S.; Valli, M.; Pivatto, M.; Viegas, Jr., C. Natural products from Brazilian biodiversity as a source of new models for medicinal chemistry. Pure and Applied Chemistry, 84(9), 1837-1846, 2012 (doi.org/10.1351/PAC-CON-12-01-11).
Valli, M.; Danuello, A.; Pivatto, M.; Saldaña, J.C.; Heinzen, H.; Domínguez, L.; Campos, V.P.; Marqui, S.; Young, M.C.M; Silva, D.H.S.; Bolzani, V.S. Anticholinesterasic, Nematostatic and Anthelmintic Activities of Pyridinic and Pyrazinic Compounds. Current Medicinal Chemistry, 18(22), 3423-3430, 2011 (doi.org.10.2174/092986711796504718).
Book Chapters
Valli, M.; Russo, H. M.; Pilon, A. C.; Pinto, M. E. F; Dias, N. B.; Freire, R. T.; Castro-Gamboa, I.; Bolzani, V. S. Chapter “Computational Methods for NMR and MS for Structure Elucidation I: Software for Basic NMR”, In: Chemoinformatics of Natural Products, editor Prof. Fidele Ntie-Kang. De Gruyter, ISBN (978-3-11-057935-2) published February 2020.
Valli, M.; Russo, H. M.; Pilon, A. C.; Pinto, M. E. F; Dias, N. B.; Freire, R. T.; Castro-Gamboa, I.; Bolzani, V. S. Chapter “Computational Methods for NMR and MS for Structure Elucidation II: Database Resources and Advanced Methods”, In: Chemoinformatics of Natural Products, editor Prof. Fidele Ntie-Kang. De Gruyter, ISBN (978-3-11-057935-2) published February 2020.
Koulouridi, E.; Valli, M.; Ntie-Kang, F.; Bolzani, V. S. Chapter “A primer on natural product-based virtual screening”, In: Chemoinformatics of Natural Products, editor Prof. Fidele Ntie-Kang. De Gruyter, ISBN (978-3-11-057935-2) published February 2020.
Medina, R. P.; Biasetto, C. R.; Felippe, L. G.; Correia, L. C.; Valli, M.; Monteiro, A. F.; Araujo, A. R.; Bolzani, V. S.; Cavalheiro, A. J.; Castro-Gamboa, I.; Furlan, M.; Silva, D. H. S. Chapter “Plant Species from the Atlantic Forest Biome and Their Bioactive Constituents”, In: Brazilian Medicinal Plants of the series Natural Products Chemistry of Global Plants, edited by Luzia V. Modolo; Mary Ann Foglio, CRC Press, ISNB (978-1-13-809375-1), published 25th November 2019.
Flausino, Jr., O.; Valli, M; Bolzani, V.S. Biodiversidade brasileira: uma fonte potencial de agentes terapêuticos ainda inexplorada. Book Chapter in ‘Química de produtos naturais: novos fármacos e a moderna farmacognosia’ Ed: Rosendo A. Yunes e Valdir Cechinel Filho, 3rd ed., UNIVALI, published on 13th June 2012.
General press contributions
Andricopulo, A. D.; Valli, M. by Hallal, M. “Anvisa autoriza estudo clínico com proxalutamida no tratamento da covid-19”. O Estado de São Paulo, 19th July 2021.
Publicity article in newspaper/electronic website
Moreira, E. A.; Valli, M. O papel da ciência para alcançar os ODS no Brasil. JC Notícias – Jornal da Ciência, 19th May 2022.
Moreira, E. A.; de Barros,H.R.; Valli, M. Deixar de investir em ciência é deixar de investir no Brasil. JCNotícias, 6704, 21st July 2021.
Mannochio-Russo, H.; Nascimento,V.; de Barros,H.R.; Valli, M. Desafios e oportunidades para jovens pesquisadores brasileiros. Jornal da Ciência, 14th November 2021
