10. Sousa, B.K.P.; Sigurdardóttir, S. S.; Bourgard, C.; Borba, J.V.V.; Clementino, L.C.; Salazar-Alvarez, L.C.; Groustra, S.; Zigweid, R.; Khim, M.; Staker, B.; Costa, F.T.M.; Eriksson, L.A.; Sunnerhagen, P.; Andrade, C.H. Selective bias virtual screening for discovery of promising antimalarial candidates targeting Plasmodium N-myristoyltransferase. Submited to Comms Chemistry. 2024. Preprint [ DOI ].

9. Tomaz, K.C.P.; Tavella, T.A.; Borba, J.V.B.; Salazar-Alvarez, L.C.; Levandoski, J. E.; Mottin, M.; Sousa, B.K.P.; Moreira-Filho, J.T.; Almeida, V.M.; Clementino, L.C.; Bourgard, C.; Massirer, K.B.; Couñago, R.M.; Andrade, C.H.; Sunnerhagen, P.; Bilsland, E.; Cassiano, G. C.; Costa, F.T.M. Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity. Antimicrob Agents Chemother. 2023. [ DOI ]

8. Andrade, M.A.; Mottin, M.; Sousa, B. K. P.; Barbosa, J.A.R.G.; Azevedo, C.S.; Silva, C. L.; Andrade, M.G.; Motta, F.S.N.; Maulay-Bailly, C.; Amand, S.; Santana, J.M.; Andrade, C.H.; Grellier, P.; Bastos, I.M.D. Identification of novel Zika virus NS3 protease inhibitors with different inhibition modes by integrative experimental and computational approaches. Biochimie, 2023. [ DOI ]

7. Mottin, M.*; Sousa, B. K. P*.; Mesquita, N.C.M.R.; Oliveira, K. I.Z.; Noske, G. D.; Sartori, G.R.; Albuquerque, A.O.; Urbina, F.; Puhl, A.C.; Moreira-Filho, J.T.; Souza, G.E.; Guido, R.V.C.; Muratov, E.; Neves, B.J.; Silva, J.H.M.; Clark, A.E.; Siqueira-Neto, J.L.; Perryman, A. L.; Oliva, G.; Ekins, S.; Andrade, C.H. Discovery of new zika protease and polymerase inhibitors through the open science collaboration project Openzika. J. Chem. Inf. Model. 2022. [ DOI ] *Shared first authorship. 

6. Freire, M.C.L.C.; Basso, L.G.M.; Mendes, L.F.S.; Mesquita, N.C.M.R.; Mottin, M.; Fernandes, R.S.; Policastro, L.R.; Godoy, A.S.; Santos, I.A.; Ruiz, U.E.A.; Caruso, I.P.; Sousa, B. K. P.; Jardim, A.C.G.; Almeida, F.C.L.; Gil, L.H.V.G.; Andrade, C.H.; Oliva, G. Characterization of the RNA-dependent RNA Polymerase from Chikungunya Virus and discovery of a novel ligand as a potential drug candidate. Sci. Rep. 2022.[ DOI]

5. Mottin, M.; Caesar, L.K.; Brodsky, D.; Mesquita, N.C.M.R.; Oliveira, K.Z.; Noske, G.D.; Sousa, B. K. P.; Ramos, P.R.P.S.; Jarmer, H.; Loh, B.; Zorn, K.M.; Foil, D.H.; Torres, P.M; Guido, R.V.C.; Oliva, G.; Scholle, F.; Ekins, S.; Cech, N.B.; Andrade, C.H.; Laster, S.M. Chalcones from Angelica Keiskei (Ashitaba) inhibit key Zika Virus replication proteins. Bioorg. Chem. 2022. [ DOI ]

4. Lima, C. S.; Mottin, M.; Assis, L.R.; Mesquita. N.C.M.R.; Sousa, B. K. P.; Coimbra, L. D.; Bispo-dos-Santos, K.; Zorn, K.M.; Guido, R.V.C.; Ekins, S.; Marques, R.E.; Proença-Modena, J. L.; Oliva, G.; Andrade, C.H.; Regasini, L.O. Flavonoids from Pterogyne Nitens as Zika virus NS2B-NS3 protease inhibitors. Bioorg. Chem. 2021. [ DOI ]

3. Ekins, S.; Mottin, M.; Ramos, P.R.P.S.; Sousa, B. K. P.; Neves, B.J.; Foil, D.H.; Zorn, K.M.; Braga, R.C.; Coffee, M.; Southan, C.; Puhl, A.C.; Andrade, C.H. Déjà Vu: stimulating open drug discovery for SARS-CoV-2. Drug Discov. Today. 2020. [ DOI ]

2. Lima, M.N.N.; Cassiano, G.C.; Tomaz, K.C.P.; Silva, A.C.; Sousa, B. K. P.; Ferreira, L.T.; Tavella, T.A.; Calit, J.; Bargieri, D.Y.; Neves, B.J.; Costa, F.T.M.; Andrade, C.H. Integrative multi-kinase approach for the identification of potent antiplasmodial hits. Front. Chem. 2019. [ DOI ]

1. Silva, S.; Shimizu, J.F.; Oliveira, D.M.; Assis, L.; Bittar, C.; Mottin, M.; Sousa, B. K. P.; Mesquita. N.C.M.R.; Regasini, L.O.; Rahal, P.; Oliva, G.; Perryman, A. L.; Ekins, S.; Andrade, C.H.; Goulart, L. R.; Sabino-Silva, R.; Merits, A.; Harris, M.; Jardim, A.C.G. A diarylamine derived from anthranilic acid inhibits ZIKV replication. Sci. Rep. 2019. [ DOI ]

16. Sousa, B.K.P.; Mottin, M.; Seanego, D.; Jurisch, C. D.; Motta, F.S.N.; Rodrigues, B.S.A.; Bastos, I.M.D.; Gessner, R.; Chibale, K.; Andrade, C.H. Integrating virtual screening and experimental approaches: uncovering new SARS-CoV-2 PLpro inhibitors. 11th Brazilian Symposium on Medicinal Chemistry. Abstract selected for oral presentation at 11th Brazilian Symposium on Medicinal Chemistry.  [ POSTER ] [ ABSTRACT ]

15. Alves, K.M.; Sousa, B.K.P.; Cruz, L.V.; Nonato, M.C.; Andrade, C.H. Computational strategies for identifying potential inhibitors of the SmDHODH enzyme as schistosomicidal agents. 11th Brazilian Symposium on Medicinal Chemistry, 2023, Brazil.

14. Sousa, B.K.P.; Sigurdardottir, S.S.; Bougard, C.; Sunnerhagen, P.; Eriksson, L.A.; Andrade, C.H. Virtual screening for discovery of novel Plasmodium vivax N-myristoyltransferase inhibitors. 23º European Symposium on Quantitative Structure-Activity Relationship, 2022, Germany. [POSTER] [ABSTRACT] 

13. Sousa, B.K.P.; Mottin, M.; Borba, J.V.V.; Moreira-Filho, J.T.; Oliveira, F.M.; Bastos, I.M.D.; Costa, F. T.M.; Neves, B. J.; Andrade, C.H. Cheminformatics approaches for the identification of potential SARS-CoV-2 Papain-like protease inhibitors. LatinXChem 2021 Virtual conference (Twitter), 2021. [POSTER] 

12. Sousa, B.K.P.; Mottin, M.; Borba, J.V.V.; Moreira-Filho, J.T.; Oliveira, F.M.; Neves, B.J.; Andrade, C.H. Artificial intelligence and molecular docking applied to discovery of new anti-SARS-CoV-2 PLpro inhibitors. 2nd Women in Bioinformatics & Data Science LA Conference (Virtual), 2021. [ POSTER ] [ ABSTRACT ] 

11. Mendonca, S.S.; Oliveira, F. M.; Sanches, I.; Sousa, B.K.P.; Mottin, M.; Borba, J.V. V.; Moreira-Filho, J.T.; Neves, B.J.; Andrade, C.H. Artificial intelligence-driven discovery of new SARS-CoV-2 3CLpro inhibitors. 2nd Women in Bioinformatics & Data Science LA Conference (Virtual), 2021.

10. Dias, G.G.; Sousa, B.K.P.; Mottin, M.; Ramos, P.R.P.S.; Borba, J.V.V.; Sanches, I.; Moreira-Filho, J.T.; Froes, T.Q.; Castilho, M.S.; Costa, F.M.; Neves, B.J.; Andrade, C.H. Targeting spike protein: An integrated computational approach towards the discovery of new anti-SARS-CoV-2 adsorption inhibitors. 2nd Women in Bioinformatics & Data Science LA Conference (Virtual), 2021.

9. Sousa, B.K.P.; Mottin, M.; Bernatchez, J.; Mesquita, N.C.M.R.; Zhu, Z.; Rich, J.; Clark, A.E.; Zorn, K.M.; Foil, D.; Sartori, G.R.; Albuquerque, A.O.; Silva, J.H.M.; Neves, B.J.; Muratov, E.; Perryman, A.; Oliva, G.; Siqueira-Neto, J.; Ekins, S.; Andrade, C.H. OpenZika: an open science collaboration project enables the discovery of a potent NS3 protease inhibitor as new antiviral candidate against Zika virus. LatinXChem, 2020 Virtual conference (Twitter). Poster awarded with honorable mention. [POSTER] [COMMUNICATION]  

8. Mottin, M.; Sousa, B.K.P.; Bernatchez, J.; Oliveira, K.Z.; Zhu, Z.; Rich, J.; Clark, A.E.; Zorn, K. M.; Foil, D.; Neves, B. J.; Muratov, E.; Oliva, G.; Siqueira-Neto, J.; Perryman, A.; Ekins, S.; Andrade, C.H. Virtual screening based on molecular docking and machine learning for discovery of new Zika virus NS5 protein inhibitors as anti-ZIKV agents. 26th International Symposium on Medicinal Chemistry (virtual), 2020.

7. Sousa, B.K.P.; Mottin, M.; Bernatchez, J.; Mesquita, N.C.M.R.; Zhu, Z.; Rich, J.; Clark, A.E.; Zorn, K.M.; Foil, D.; Sartori, G.R.; Albuquerque, A.O.; Silva, J.H.M.; Neves, B.J.; Muratov, E.; Perryman, A.; Oliva, G.; Siqueira-Neto, J.; Ekins, S.; Andrade, C.H. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation. 43rd Annual Meeting of Brazilian Chemical Society, 2020, Brazil. 

6. Sousa, B.K.P.; Mottin, M.; Brodsky, D.; Caesar, L.; Mesquita, N.C.M.R; Zorn, K.; Cech, N.; Oliva, G.; Ekins, S.; Laster, S.; Andrade, C.H. Discovery of new Zika vírus candidates: Natural products from Angelica keiskei with activity against NS2B-NS3 protease. 9th Brazilian Symposium on Medicinal Chemistry, 2019, Brazil. 

5. Tomaz, K.C. P.; Bougard, C.; Mottin, M.; Sousa, B.K.P.; Moreira-Filho, J. T.; Lima, M.N.N.; Alvarez, L.C.S.; Cassiano, G.C.; Andrade, C.H.; Costa, F.M. Virtual screening and experimental validation of inhibitors of Plasmodium spp. casein kinases, CK1 and CK2α, as potential antimalarial candidates. EMBL: Wellcome Genome Campus Conference: Target Validation Using Genomics and Informatics, 2019, Germany.

4. Chaves-Filho, A.; Mottin, M.; Silva, A. C.; Sousa, B.K.P. Andrade, C.H.; Macedo, D. Integrative target prediction, molecular docking and experimental evaluation of the antidepressant-like effects of doxycycline. 9th Brazilian Symposium on Medicinal Chemistry, 2019, Brazil.

3. Ramos, P.R.P.S.; Mottin, M.; Sousa, B.K.P.; Foil, D.; Zorn, K.; Ekins, S.; Andrade, C.H. Integrative similarity analysis, docking and machine learning models for identifying new Zika NS5 hits guided by Dengue NS5 inhibitors. 9th Brazilian Symposium on Medicinal Chemistry, 2019, Brazil.

2. Sousa, B.K.P.; Mottin, M.; Shimizu, J. F.; Assis, L. R.; Bittar, C.; Regasini, L. O.; Rahal, P.; Merits, A.; Harris, M.; Jardim, A.C.; Perryman, A.L.; Ekins, S.; Andrade, C.H. Molecular docking studies of a novel diarylamine compound active against Zika virus replication. 9th School of Molecular Modeling in Biological Systems, 2018, Brazil.

1. Sousa, B.K.P.; Coelho, L.S.; Carvalho, S.; Nunes, W.B. Absence of mutagenic effect of curcumin extracted of turmeric in somatic cells of drosophila melanogaster: smart/wing. 11th International Conference on Environmental Mutagens and 53rd Annual Meeting of the Environmental Mutagenesis and Genomics Society, 2013, Brazil.