Pablo Andrei Nogara

Scopus Publications

3-(Difluoromethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidines achieved by sequential formylation/difluorination reactions: Synthesis, optical properties, BSA bio-interactions, and molecular docking
Juliane N. Araújo, Felipe S. Stefanello, Érica O.T. Machado, Fábio M. Luz, Fabiane Gritzenco, Pablo A. Nogara, Marcos A.P. Martins, Nilo Zanatta, Victor Deflon, Bernardo A. Iglesias, Helio G. Bonacorso
Journal of Photochemistry and Photobiology A Chemistry, 2026
Promising Flavonoid-Fused Aminoquinolines as Synthetic Alzheimer's Disease Models: Design, Synthesis, Anticholinesterase Activity, ADMET and Molecular Docking
Inaiá O. Rocha, Cássia P. Delgado, Pablo A. Nogara, João B. T. Rocha, Marcos A. P. Martins, Nilo Zanatta, Helio G. Bonacorso
Chembiochem, 2026
An efficient one‐pot, two‐step [4 + 2] cyclocondensation reaction of (±)‐2‐phenylchroman‐4‐ones ( 1 ) with various scaffolds of 2‐aminobenzonitriles ( 2 ) was employed using AlCl 3 as the catalyst in the presence of toluene as a solvent under conventional thermal heating. This method was used to synthesize a series of six novel examples of (±)‐7‐amino‐6‐aryl‐6 H ‐chromeno[4,3‐ b ]quinolines ( 3 ), which were designed as potential cholinesterase inhibitors. Subsequently, the new chromeno[4,3‐ b ]quinolines were evaluated for their AChE and BChE inhibitory activity and subjected to molecular docking studies. In vitro cholinesterase assays and in silico docking demonstrated that all newly modified tacrine analogs 3 exhibited higher Hs BChE inhibitory activity compared to Hs AChE. Specifically, the most effective human cholinesterase inhibitor was the compound (±)‐7‐amino‐6‐phenyl‐6 H ‐chromeno[4,3‐ b ]quinoline ( 3aa ), with an IC 50 of 2.73 μM for Hs AChE and 0.096 μM for Hs BChE. These findings suggest that compound 3aa is a promising candidate for further assessment in synthetic Alzheimer's disease models.
Cycloalkyl-fused 4-amino-3-aryl-isoxazolo[5,4-b]quinolines - modified tacrine: Design, synthesis, cholinesterase inhibition, ADMET, and molecular docking
Yuri G. Kappenberg, Érica G. Oliveira, Pablo A. Nogara, Felipe S. Stefanello, Cássia P. Delgado, João B.T. Rocha, Nilo Zanatta, Marcos A.P. Martins, Helio G. Bonacorso
Journal of Molecular Structure, 2026
Molecular Aspects of Methylcadmium Toxicity: Effects on the H2O2Reduction by Cysteine and Selenocysteine Disclosed In Silico
Alessandro Rubbi, Francesco Lambertini, Pablo A. Nogara, Marco Bortoli, João B. T. Rocha, Laura Orian
Chemical Research in Toxicology, 2026
High Resolution Image Download MS PowerPoint Slide Cadmium (Cd), like the other group 12 elements (Zn and Hg), has a high affinity for sulfur (S) and selenium (Se), a property that strongly influences its adverse biological effects. Although the symptoms of Cd toxicity are diverse, a common denominator is found in oxidative stress, resulting in the disruption of redox balance in cells and the proliferation of reactive oxygen species (ROS) and harmful radicals. Methylcadmium (CH 3 Cd + ) is a convenient model to study Cd pro-oxidant activity in silico. In this work, the effect of CH 3 Cd + on the peroxy-reducing potential of cysteine (Cys) and selenocysteine (Sec) is investigated at the ZORA-BLYP-D3(BJ)/TZ2P level and compared to our current knowledge on the analogous molecular aspects of methylmercury’s toxicity (CH 3 Hg + ). Molecular docking simulations indicate that CH 3 Cd + binds favorably to the catalytic sites of the GPx1 and TrxR1 enzymes. The short distances between the metal and Sec suggest that a nucleophilic attack by Se to Cd leading to the inhibition of the enzyme is indeed possible. Methylcadmium pro-oxidant activity is─if not equal─only slightly inferior to that of methylmercury.
Stereochemical Modulation of Palladacyclopentadienyl Complexes Bearing Diphosphine Ligands: A Key to Enhanced DNA Interaction and Anticancer Activity
Stefania Mautone, Martina Scianna, Isabella Caligiuri, Laura Orian, Pablo Nogara, Nicola Demitri, Flavio Rizzolio, Thomas Scattolin
European Journal of Inorganic Chemistry, 2026
Palladacyclopentadienyl complexes represent a uniquely stable and structurally rigid class of organopalladium compounds with significant potential for anticancer drug development. Here, we report the first systematic exploration of palladacyclopentadienyl complexes supported by a diverse set of achiral and chiral diphosphine ligands, including DPPF, DPPE, DPPP, DPPBz, DPEPhos, Xantphos, BINAP, and Chiraphos. All complexes were obtained in high yields and fully characterized, confirming bidentate coordination and preservation of the rigid palladacyclopentadienyl framework. Biological evaluation against cisplatin‐sensitive, cisplatin‐resistant, and high‐grade serous ovarian cancer cell lines revealed that complexes bearing DPPF and DPPBz exhibit sub‐micromolar cytotoxicity combined with marked selectivity for cancer cells over non‐tumoral fibroblasts, outperforming cisplatin and carboplatin. Notably, pronounced differences in activity were observed between enantiomeric BINAP‐ and Chiraphos‐based complexes, representing a rare example of strong chirality‐dependent cytotoxicity in metal‐based agents. Molecular docking analyses were used to rationalize the observed trends, correlating cytotoxicity with the number and nature of predicted non‐covalent interactions formed with DNA. These results highlight palladacyclopentadienyl–diphosphine complexes as a highly tunable platform for anticancer drug design and identify DPPF‐ and DPPBz‐based derivatives as promising lead compounds for further preclinical evaluation.
Selenoneine, a food chain component with potential neuroprotective effects against electrophilic mercury forms
Guilherme S. Rieder, Davide Zeppilli, Pablo A. Nogara, Michael Aschner, Alexey A. Tinkov, Isaac A. Adedara, Diogo O. G. de Souza, Débora G. de Souza, Laura Orian, Joao B.T. Rocha
Advances in Neurotoxicology, 2026
Design, Synthesis, Molecular Docking, Structure Activity Relationship, and In Vivo Evaluation of Pyrazole–Pyrimidines for Discovering New Nonsteroidal Anti-Inflammatory Drugs
Paulo A. Moraes, Genilson S. Pereira, Mário A. Marangoni, João Pedro V. Lopes, Amanda Favarin, Adriano F. Camargo, Pablo A. Nogara, Helio G. Bonacorso, Marcos A. P. Martins, Sara M. Oliveira, Nilo Zanatta
Chembiochem, 2026
Nonsteroidal anti‐inflammatory drugs are among the most prescribed worldwide to treat pain, fever, and inflammation. However, they can cause severe adverse effects such as gastric, duodenal, hepatic, and renal injuries. Thus, the search for effective and new drugs is of high priority. Herein, the synthesis of a new series 4‐((5‐substituted‐3‐(trifluoromethyl)‐1 H ‐pyrazol‐1‐yl)methyl)‐6‐(trifluoromethyl) pyrimidin‐2‐substituted (pyrazole–pyrimidines) obtained through the cyclocondensation reaction of pyrazole–enaminones with amidines under mild conditions is reported. The chemical structures are confirmed by 1 H and 13 C NMR, mass spectrometry, and single‐crystal X‐ray analysis for compounds 4c and 4g . Molecular docking studies are conducted to identify selective cyclooxygenase‐2 (COX‐2) inhibitors, revealing that compounds 4d , 4j , and 4k display higher binding affinity. ADMET predictions (absorption, distribution, metabolism, excretion, and toxicity) corroborate to the docking results, suggesting favorable pharmacokinetic and toxicological properties. The in vivo antinociceptive activity is investigated in mice using the capsaicin‐induced nociception model. Oral administration of compounds 4d , 4e , 4f , 4j , and 4k significantly reduces nociceptive responses, achieving effects comparable or superior to celecoxib, without altering locomotor activity. Altogether, the findings demonstrate that pyrazole–pyrimidine derivatives, especially 4d and 4k , are promising candidates for the development of selective COX‐2 analgesics, combining antinociceptive efficacy with a favorable toxicological profile.
Exploring the anticancer properties of indenyl and allyl palladates through their interaction with nucleic acids
Tommaso Giani, Giannantonio Tomasi, Pablo A. Nogara, Laura Orian, Fabiano Visentin, Thomas Scattolin, Tarita Biver
Journal of Inorganic Biochemistry, 2025
Influence of the charge of 1,3,5-triaza-7-phosphaadamantane-based ligands on the anticancer activity of organopalladium complexes
Tommaso Lorenzon, Maria Vescovo, Michele Maiullari, Giovanni Tonon, Nuno Reis Conceição, Sónia A. C. Carabineiro, Abdallah G. Mahmoud, Martin C. Dietl, Nicola Demitri, Laura Orian, Pablo A. Nogara, Isabella Caligiuri, Flavio Rizzolio, A. Stephen K. Hashmi, Fabiano Visentin, Thomas Scattolin
Rsc Advances, 2025
Novel organopalladium complexes bearing PTA-based ligands were synthesized in this article, showing excellent and, in some cases, selective antitumor activity.
In Silico and In Vitro Studies of the Approved Antibiotic Ceftaroline Fosamil and Its Metabolites as Inhibitors of SARS-CoV-2 Replication
Cássia Delgado, Pablo Andrei Nogara, Milene Dias Miranda, Alice Santos Rosa, Vivian Neuza Santos Ferreira, Luisa Tozatto Batista, Thamara Kelcya Fonseca Oliveira, Folorunsho Bright Omage, Flávia Motta, Izabela Marques Bastos, Laura Orian, João Batista Teixeira Rocha
Viruses, 2025
The SARS-CoV-2 proteases Mpro and PLpro are critical targets for antiviral drug development for the treatment of COVID-19. The 1,2,4-thiadiazole functional group is an inhibitor of cysteine proteases, such as papain and cathepsins. This chemical moiety is also present in ceftaroline fosamil (CF), an FDA-approved fifth-generation cephalosporin antibiotic. This study investigates the interactions between CF, its primary metabolites (M1 is dephosphorylated CF and M2 is an opened β-lactam ring) and derivatives (protonated M1H and M2H), and its open 1,2,4-thiadiazole rings derivatives (open-M1H and open-M2H) with SARS-CoV-2 proteases and evaluates CF’s effects on in vitro viral replication. In silico analyses (molecular docking and molecular dynamics (MD) simulations) demonstrated that CF and its metabolites are potential inhibitors of PLpro and Mpro. Docking analysis indicated that the majority of the ligands were more stable with Mpro than PLpro; however, in vitro biochemical analysis indicated PLpro as the preferred target for CF. CF inhibited viral replication in the human Calu-3 cell model at submicromolar concentrations when added to cell culture medium at 12 h. Our results suggest that CF should be evaluated as a potential repurposing agent for COVID-19, considering not only viral proteases but also other viral targets and relevant cellular pathways. Additionally, the reactivity of sulfur in the 1,2,4-thiadiazole moiety warrants further exploration for the development of viral protease inhibitors.
50 Years of Organoselenium Chemistry, Biochemistry and Reactivity: Mechanistic Understanding, Successful and Controversial Stories
Andrea Madabeni, Marco Bortoli, Pablo A. Nogara, Giovanni Ribaudo, Marco Dalla Tiezza, Leopold Flohé, João B. T. Rocha, Laura Orian
Chemistry A European Journal, 2024
Reactivity of Zinc Fingers in Oxidizing Environments: Insight from Molecular Models Through Activation Strain Analysis
Davide Zeppilli, Andrea Madabeni, Pablo A. Nogara, João B. T. Rocha, Laura Orian
Chempluschem, 2024
Comparative study of the antiproliferative activity of heterometallic carbene gold(i)-platinum(ii) and gold(i)-palladium(ii) complexes in cancer cell lines
Martin C. Dietl, Melina Maag, Sophia Ber, Frank Rominger, Matthias Rudolph, Isabella Caligiuri, Pacome K. Andele, Ibraheem A. I. Mkhalid, Flavio Rizzolio, Pablo A. Nogara, Laura Orian, Thomas Scattolin, A. Stephen K. Hashmi
Chemical Science, 2024
Interplay between diphenyl diselenide and copper: Impact on D. melanogaster survival, behavior, and biochemical parameters
G.S. Rieder, T. Duarte, C.P. Delgado, A. Rodighiero, P.A. Nogara, L. Orian, M. Aschner, C.L. Dalla Corte, J.B.T. Da Rocha
Comparative Biochemistry and Physiology Part C Toxicology and Pharmacology, 2024
Unveiling the promising anticancer activity of palladium(ii)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis
Giovanni Tonon, Matteo Mauceri, Enrico Cavarzerani, Rachele Piccolo, Claudio Santo, Nicola Demitri, Laura Orian, Pablo A. Nogara, João Batista T. Rocha, Vincenzo Canzonieri, Flavio Rizzolio, Fabiano Visentin, Thomas Scattolin
Dalton Transactions, 2024
Toxicology of Essential and Xenobiotic Metals
João Batista Teixeira da Rocha, Michael Aschner, Pablo Andrei Nogara
Toxicology of Essential and Xenobiotic Metals, 2024
Preface
Toxicology of Essential and Xenobiotic Metals, 2024
The Importance of Rabenstein’s Reaction in the Toxicity of Methylmercury: What is Missing?
João B. T. Rocha, Marcelo Farina, Pablo A. Nogara, Michael Aschner
Toxicology of Essential and Xenobiotic Metals, 2024
Gold: Structure, Reactivity, Biological Activities, and Toxicity
Pablo A. Nogara, Folorunsho B. Omage, Caroline S. Schiavon, Karise F. Nogara, Wilian C. da Rosa, Pamela C. da Rosa, Lisandro von Mühlen
Toxicology of Essential and Xenobiotic Metals, 2024
Representation of insulin synthesis and construction of a three-dimensional insulin model as didactic tools in basic education
Gabriela L. Schmitz, Luana E. Joras, Pablo A. Nogara, Maria Eduarda A Galiciolli, Bruna C. Piccoli, Fernanda Davila da Silva, Cláudia S. Oliveira, João B. T. Rocha
Journal of Biological Education, 2024
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2
Guilherme Schmitt Rieder, Pablo Andrei Nogara, Folorunsho Bright Omage, Tâmie Duarte, Cristiane Lenz Dalla Corte, João Batista Teixeira da Rocha
Computational Biology and Chemistry, 2023
In silico evidences of Mpro inhibition by a series of organochalcogen-AZT derivatives and their safety in Caenorhabditis elegans
Gabriel Pedroso Viçozzi, Flávia Suelen de Oliveira Pereira, Rafael Santos da Silva, Julliano Guerin Leal, Joelma Menegazzi. Sarturi, Pablo Andrei Nogara, Oscar Endrigo Dorneles Rodrigues, João Batista Teixeira da Rocha, Daiana Silva Ávila
Journal of Trace Elements in Medicine and Biology, 2023
Study on the photophysical property of meso-tetra(2-fluorenyl)porphyrin derivatives and their interactions with DNA/HSA biomacromolecules
Isadora Tisoco, Mateus H. Köhler, Pablo A. Nogara, João B.T. Rocha, Carolina S. do Nascimento, Rafael de Q. Garcia, Leonardo De Boni, Bernardo A. Iglesias
Inorganica Chimica Acta, 2023
1,2,3-Triazolo[4,5-b]aminoquinolines: Design, synthesis, structure, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activity, and molecular docking of novel modified tacrines
Yuri G. Kappenberg, Pablo A. Nogara, Felipe S. Stefanello, Cássia P. Delgado, João B.T. Rocha, Nilo Zanatta, Marcos A.P. Martins, Helio G. Bonacorso
Bioorganic Chemistry, 2023
Organic selenocompounds: are they the panacea for human illnesses?
Pablo A. Nogara, Meire E. Pereira, Cláudia S. Oliveira, Laura Orian, João B. T. Rocha
New Journal of Chemistry, 2023
Diphenyl Diselenide and SARS-CoV-2: in silico Exploration of the Mechanisms of Inhibition of Main Protease (Mpro) and Papain-like Protease (PLpro)
Folorunsho Bright Omage, Andrea Madabeni, Amanda Resende Tucci, Pablo Andrei Nogara, Marco Bortoli, Alice dos Santos Rosa, Vivian Neuza dos Santos Ferreira, João Batista Teixeira Rocha, Milene Dias Miranda, Laura Orian
Journal of Chemical Information and Modeling, 2023
In silico analysis of the antidepressant fluoxetine and related drugs at sars-cov-2 main protease (Mpro) and papain-like protease (plpro)
João Batista Teixeira Rocha, Pedro José Tronco Pauletto, Folorunsho Bright Omage, Cássia Pereira Delgado, Pablo Andrei Nogara
Current Drug Discovery Technologies, 2023
Thiol modifier effects of diphenyl diselenides: insight from experiment and DFT calculations
Pablo A. Nogara, Cláudia S. Oliveira, Andrea Madabeni, Marco Bortoli, João Batista T. Rocha, Laura Orian
New Journal of Chemistry, 2023
In silico analysis of the antidepressant fluoxetine and similar drugs as inhibitors of the human protein acid sphingomyelinase: a related SARS-CoV-2 inhibition pathway
Pedro Pauletto, Marco Bortoli, Folorunsho Omage Bright, Cássia Pereira Delgado, Pablo Andrei Nogara, Laura Orian, João Batista Teixeira da Rocha
Journal of Biomolecular Structure and Dynamics, 2023
Assessment of Neurotoxic Effects of Oxycodone and Naloxone in SH-SY5Y Cell Line
Luíza Siqueira Lima, Nayara de Souza da Costa, Maria Eduarda Andrade Galiciolli, Meire Ellen Pereira, William Almeida, Marta Margarete Cestari, Pablo Andrei Nogara, Ana Carolina Irioda, Cláudia Sirlene Oliveira
International Journal of Molecular Sciences, 2023
Selenium Neuroprotection in Neurodegenerative Disorders
Cláudia Sirlene Oliveira, Bruna Candia Piccoli, Pablo Andrei Nogara, Meire Ellen Pereira, Katherine Athayde Teixeira de Carvalho, Anatoly V. Skalny, Alexey A. Tinkov, Michael Aschner, João Batista Teixeira Rocha
Handbook of Neurotoxicity Second Edition, 2023
In silico studies of Mpro and PLpro from SARS-CoV-2 and a new class of cephalosporin drugs containing 1,2,4-thiadiazole
Cássia Pereira Delgado, João Batista Teixeira Rocha, Laura Orian, Marco Bortoli, Pablo Andrei Nogara
Structural Chemistry, 2022
Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies
Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Laura Orian, João Batista Teixeira Rocha
Journal of Molecular Modeling, 2022
Design, synthesis, AChE/BChE inhibitory activity, and molecular docking of spiro[chromeno[4,3-b]thieno[3,2-e]pyridine]-7-amine tacrine hybrids
Yuri G. Kappenberg, Pablo A. Nogara, Felipe S. Stefanello, Luís H. Moretto, Patrícia M. Santos, João B.T. Rocha, Nilo Zanatta, Marcos A.P. Martins, Helio G. Bonacorso
Journal of Molecular Structure, 2022
In the Chalcogenoxide Elimination Panorama: Systematic Insight into a Key Reaction
Andrea Madabeni, Simone Zucchelli, Pablo A. Nogara, João B. T. Rocha, Laura Orian
Journal of Organic Chemistry, 2022
Toxic metals that interact with thiol groups and alteration in insect behavior
Cláudia S Oliveira, Pablo A Nogara, Luíza S Lima, Maria EA Galiciolli, Júlia V Souza, Michael Aschner, João BT Rocha
Current Opinion in Insect Science, 2022
The Potential of Ebselen Against Bipolar Disorder: A Perspective on the Interaction with Inositol Monophosphatase (IMPase)
Giovanni Ribaudo, Andrea Madabeni, Pablo Andrei Nogara, Chiara Pavan, Marco Bortoli, Joao Batista Teixeira Rocha, Laura Orian
Current Organic Chemistry, 2022
Bromo-Substituted Diazenyl-pyrazolo[1,5-a]pyrimidin-2-amines: Sonogashira Cross-Coupling Reaction, Photophysical Properties, Bio-interaction and HSA Light-Up Sensor
Felipe S. Stefanello, Yuri G. Kappenberg, Juliane N. Araújo, Bianca Dozza, Pablo A. Nogara, João B. T. Rocha, Nilo Zanatta, Marcos A. P. Martins, Helio G. Bonacorso, Bernardo A. Iglesias
Chembiochem, 2022
Fluorinated N-quinoxaline-based boron complexes: Synthesis, photophysical properties, and selective DNA/BSA biointeraction
Tainara P. Calheiro, Steffany Z. Franceschini, Pablo A. Nogara, João B.T. Rocha, Nilo Zanatta, Marcos A.P. Martins, Bernardo A. Iglesias, Helio G. Bonacorso
Journal of Molecular Structure, 2022
One-Pot Synthesis and in Silico Molecular Docking Studies of Arylselanyl Hydrazides as Potential Antituberculosis Agents
Elton L. Borges, Helen A. Goulart, Gelson Perin, Paulo H. Schneider, Guilherme S. Rieder, Pablo A. Nogara, João B. T. da Rocha
Chemistry and Biodiversity, 2022
Biological Activity of Synthetic Organoselenium Compounds: What do we Know about the Mechanism?
Pablo Andrei Nogara, Marco Bortoli, Laura Orian, João Batista T. Rocha
Current Chemical Biology, 2022
Hybridized 4-Trifluoromethyl-(1,2,3-triazol-1-yl)quinoline System: Synthesis, Photophysics, Selective DNA/HSA Bio-interactions and Molecular Docking
Yuri G. Kappenberg, Felipe S. Stefanello, Nilo Zanatta, Marcos A. P. Martins, Pablo A. Nogara, João B. T. Rocha, Isadora Tisoco, Bernardo A. Iglesias, Helio G. Bonacorso
Chembiochem, 2022
Therapeutic applications of low-molecular-weight thiols and selenocompounds
Pablo A. Nogara, Cláudia S. Oliveira, Meire E. Pereira, Marco Bortoli, Laura Orian, Michael Aschner, João B.T. Rocha
Redox Chemistry and Biology of Thiols, 2022
Cockroaches: an alternative model to teach enzymatic inhibition to undergraduate students
Gabriela L. Schmitz, Pablo A. Nogara, Natiéle Medina, João Batista T. da Rocha, Nilda Vargas Barbosa, Ana Lúcia A. Segatto, Cláudia S. Oliveira
Journal of Biological Education, 2022
Interaction study between esipt fluorescent lipophile-based benzazoles and bsa
Thais Kroetz, Pablo Andrei Nogara, Fabiano da Silveira Santos, Lilian Camargo da Luz, Viktor Saraiva Câmara, João Batista Teixeira da Rocha, Alexandre Gonçalves Dal-Bó, Fabiano Severo Rodembusch
Molecules, 2021
In silico Studies on the Interaction between Mpro and PLpro From SARS-CoV-2 and Ebselen, its Metabolites and Derivatives
Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Michael Aschner, Laura Orian, João Batista Teixeira Rocha
Molecular Informatics, 2021
Mechanistic insight into sars‐cov‐2 mpro inhibition by organoselenides: The ebselen case study
Andrea Madabeni, Pablo Andrei Nogara, Folorunsho Bright Omage, João Batista Teixeira Rocha, Laura Orian
Applied Sciences Switzerland, 2021
Methylmercury Can Facilitate the Formation of Dehydroalanine in Selenoenzymes: Insight from DFT Molecular Modeling
Pablo Andrei Nogara, Andrea Madabeni, Marco Bortoli, João Batista Teixeira Rocha, Laura Orian
Chemical Research in Toxicology, 2021
Effect of Methylmercury Binding on the Peroxide-Reducing Potential of Cysteine and Selenocysteine
Andrea Madabeni, Pablo A. Nogara, Marco Bortoli, João B. T. Rocha, Laura Orian
Inorganic Chemistry, 2021
7-Amine-spiro[chromeno[4,3-b]quinoline-6,1′-cycloalkanes]: Synthesis and cholinesterase inhibitory activity of structurally modified tacrines
Letícia B. Silva, Pablo A. Nogara, Paula T. Halmenschelager, Jéssica C. Alvim, Fernanda D'A. Silva, Sarah C. Feitosa, João B.T. Rocha, Marcos A.P. Martins, Nilo Zanatta, Helio G. Bonacorso
Bioorganic Chemistry, 2021
New 1-(Spiro[chroman-2,1′-cycloalkan]-4-yl)-1H-1,2,3-Triazoles: Synthesis, QTAIM/MEP analyses, and DNA/HSA-binding assays
Felipe S. Stefanello, Yuri G. Kappenberg, Alex Ketzer, Steffany Z. Franceschini, Paulo R.S. Salbego, Thiago V. Acunha, Pablo A. Nogara, João B.T. Rocha, Marcos A.P. Martins, Nilo Zanatta, Bernardo A. Iglesias, Helio G. Bonacorso
Journal of Molecular Liquids, 2021
Design, Synthesis, and Cholinesterase Inhibitory Activity of 4-Substituted-6-(trihalomethyl)-2-methylsulfanyl Pyrimidines
Andreia M. P. W. Da Silva, Mateus Mittersteiner, Fabio M. Da Silva, Fernanda D'Avila, Pablo A. Nogara, Karise F. Nogara, João B. T. Rocha, Helio G. Bonacorso, Marcos A. P. Martins, Nilo Zanatta
Chemistryselect, 2021
Chalcogen-nitrogen bond: Insights into a key chemical motif
Marco Bortoli, Andrea Madabeni, Pablo Andrei Nogara, Folorunsho B. Omage, Giovanni Ribaudo, Davide Zeppilli, Joao B. T. Rocha, Laura Orian
Catalysts, 2021
Pyrazole-Enaminones as Promising Prototypes for the Development of Analgesic Drugs
Paulo A. Moraes, Evelyne S. Brum, Indiara Brusco, Mário A. Marangoni, Marcio M. Lobo, Adriano F. Camargo, Pablo A. Nogara, Helio G. Bonacorso, Marcos A. P. Martins, João Batista T. Da Rocha, Sara M. Oliveira, Nilo Zanatta
Chemistryselect, 2020
Effects of CATECHIN on reserpine-induced vacuous chewing movements: behavioral and biochemical analysis
Jeane Binotto Reinheimer, Getulio Nicola Bressan, Catiuscia Molz de Freitas, Ana Paula Chiapinotto Ceretta, Bárbara Nunes Krum, Pablo Andrei Nogara, Talita Rodrigues, Janaína Paola Schwerz, João Batista Teixeira da Rocha, Roselei Fachinetto
Naunyn Schmiedeberg S Archives of Pharmacology, 2020
Chalcogen–mercury bond formation and disruption in model Rabenstein's reactions: A computational analysis
Andrea Madabeni, Marco Dalla Tiezza, Folorunsho Bright Omage, Pablo Andrei Nogara, Marco Bortoli, João Batista Teixeira Rocha, Laura Orian
Journal of Computational Chemistry, 2020
Non-traditional intrinsic luminescence of amphiphilic-based ionic liquids from oxazolidines: Interaction studies in phosphatidylcholine-composed liposomes and BSA optical sensing in solution
Laíse Costa Borba, Cassiana Herzer Griebeler, Mariana Ferrari Bach, Cristina Aparecida Barboza, Pablo Andrei Nogara, João Batista Teixeira da Rocha, Simone Schneider Amaral, Fabiano Severo Rodembusch, Paulo Henrique Schneider
Journal of Molecular Liquids, 2020
Regioselective synthesis of pyrazolyl-pyrimidine hybrids of pharmacological interest
Nilo Zanatta, Adriano F. Camargo, Mário A. Marangoni, Paulo A. de Moraes, Pablo A. Nogara, Blessing A. Afolabi, Carlos E. Bencke, João B. T. Rocha, Helio G. Bonacorso, Marcos A. P. Martins
Synthesis Germany, 2020
The Se…S/N interactions as a possible mechanism of δ-aminolevulinic acid dehydratase enzyme inhibition by organoselenium compounds: A computational study
Pablo Andrei Nogara, Laura Orian, João Batista Teixeira Rocha
Computational Toxicology, 2020
Transcriptomic and Proteomic Tools in the Study of Hg Toxicity: What Is Missing?
Cláudia S. Oliveira, Ana L. A. Segatto, Pablo A. Nogara, Bruna C. Piccoli, Élgion L. S. Loreto, Michael Aschner, João B. T. Rocha
Frontiers in Genetics, 2020
Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment
Andrielli Leitemberger, Mariana S. Sonego, Fábio D. Garcia, Alana C.F. dos Santos, Bruna C. Piccoli, Fernanda D. da Silva, Cláudia S. Oliveira, Fabiana K. Seixas, Luciano Dornelles, João B.T. Rocha, Pablo A. Nogara, Kyle M. Schachtschneider, Tiago Collares, Oscar E.D. Rodrigues
Bioorganic and Medicinal Chemistry, 2020
Triplaris gardneriana seeds extract exhibits in vitro anti-inflammatory properties in human neutrophils after oxidative treatment
José Joaquim Lopes Neto, Thiago Silva de Almeida, Luiz Carlos Pereira Almeida Filho, Talita Magalhães Rocha, Pablo Andrei Nogara, Karise Fernanda Nogara, João Batista Teixeira da Rocha, Luzia Kalyne Almeida Moreira Leal, Ana Fontenele Urano Carvalho
Journal of Ethnopharmacology, 2020
High level of methylmercury exposure causes persisted toxicity in Nauphoeta cinerea
Bruna C. Piccoli, Jéssica C. Alvim, Fernanda D. da Silva, Pablo A. Nogara, Olawande C. Olagoke, Michael Aschner, Cláudia S. Oliveira, João B. T. Rocha
Environmental Science and Pollution Research, 2020
Molecular docking and in vitro evaluation of a new hybrid molecule (JM-20) on cholinesterase activity from different sources
Fernanda D’Avila da Silva, Pablo Andrei Nogara, Estael Ochoa-Rodríguez, Yanier Nuñez-Figueredo, Maylin Wong-Guerra, Denis Broock Rosemberg, João Batista Teixeira da Rocha
Biochimie, 2020
Synthesis, photophysical characterization, CASSCF/CASPT2 calculations and CT-DNA interaction study of amino and azido benzazole analogues
Eduarda S. Gil, Cláudia B. da Silva, Pablo A. Nogara, Carolina H. da Silveira, João B.T. da Rocha, Bernardo A. Iglesias, Diogo S. Lüdtke, Paulo F.B. Gonçalves, Fabiano S. Rodembusch
Journal of Molecular Liquids, 2020
Methylmercury's chemistry: From the environment to the mammalian brain
Pablo A. Nogara, Cláudia S. Oliveira, Gabriela L. Schmitz, Paulo C. Piquini, Marcelo Farina, Michael Aschner, João B.T. Rocha
Biochimica Et Biophysica Acta General Subjects, 2019
Glycoconjugates Based on Supramolecular Tröger's Base Scaffold: Synthesis, Photophysics, Docking, and BSA Association Study
Débora Muller Pimentel Aroche, Jaqueline Pinto Vargas, Pablo Andrei Nogara, Fabiano da Silveira Santos, João Batista Teixeira da Rocha, Diogo Seibert Lüdtke, Fabiano Severo Rodembusch
ACS Omega, 2019
Mercury in Our Food
Pablo A. Nogara, Marcelo Farina, Michael Aschner, Joao B. T. Rocha
Chemical Research in Toxicology, 2019
Tacrine-pyrimidine photoactive molecular hybrids: Synthesis, photophysics, docking and BSA interaction study
João Paulo Bizarro Lopes, Viktor Saraiva Câmara, Dennis Russowsky, Pablo Andrei Nogara, João Batista Teixeira da Rocha, Fabiano da Silveira Santos, Fabiano Severo Rodembusch, Marco Antonio Ceschi
Journal of Molecular Liquids, 2019
Novel aryl(heteroaryl)-substituted (pyrimidyl)benzamide-based BF2 complexes: Synthesis, photophysical properties, BSA-binding, and molecular docking analysis
Helio G. Bonacorso, Tainara P. Calheiro, Thiago V. Acunha, Bernardo A. Iglesias, Steffany Z. Franceschini, Alex Ketzer, Alexandre R. Meyer, Pablo A. Nogara, João B.T. Rocha, Nilo Zanatta, Marcos A.P. Martins
Dyes and Pigments, 2019
Thimerosal inhibits Drosophila melanogaster tyrosine hydroxylase (DmTyrH) leading to changes in dopamine levels and impaired motor behavior: implications for neurotoxicity
Matheus C. Bianchini, Claudia Ortiz Alves Gularte, Pablo A. Nogara, Bárbara N. Krum, Mateus C. Gayer, Jessika C. Bridi, Daniel H. Roos, Rafael Roehrs, Roselei Fachinetto, Simone Pinton, Daiana S. Ávila, Frank Hirth, João B. T. Rocha, Robson L. Puntel
Metallomics, 2019
Molecular docking, and anti-biofilm activity of gold-complexed sulfonamides on Pseudomonas aeruginosa
Caren Rigon Mizdal, Sílvio Terra Stefanello, Pablo Andrei Nogara, Félix Alexandre Antunes Soares, Lenice de Lourenço Marques, Marli Matiko Anraku de Campos
Microbial Pathogenesis, 2018
Molecular docking analysis of acetylcholinesterase corroborates the protective effect of pralidoxime against chlorpyrifos-induced behavioral and neurochemical impairments in Nauphoeta cinerea
Fernanda D'Avila da Silva, Pablo Andrei Nogara, Marcos Martins Braga, Bruna Candia Piccoli, João Batista Teixeira Rocha
Computational Toxicology, 2018
A new protocol for the synthesis of new thioaryl-porphyrins derived from 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin: Photophysical evaluation and DNA-binding interactive studies
Patrícia Foletto, Fabiula Correa, Luciano Dornelles, Bernardo A. Iglesias, Carolina H. da Silveira, Pablo A. Nogara, João B. T. da Rocha, Maria A. F. Faustino, Oscar E. D. Rodrigues
Molecules, 2018
Interaction of metals from group 10 (Ni, Pd, and Pt) and 11 (Cu, Ag, and Au) with human blood δ-ALA-D: in vitro and in silico studies
Cláudia Vargas Klimaczewski, Pablo Andrei Nogara, Nilda Vargas Barbosa, João Batista Teixeira da Rocha
Environmental Science and Pollution Research, 2018
Interaction energy profile for diphenyl diselenide in complex with δ-aminolevulinic acid dehydratase enzyme using quantum calculations and a molecular fragmentation method
Rogério A. Saraiva, Pablo A. Nogara, Roner F. Costa, Eveline M. Bezerra, Helenicy N.H. Veras, Irwin R.A. Menezes, Umberto L. Fulco, Eudenilson L. Albuquerque, Valder N. Freire, João B.T. Rocha
Computational Toxicology, 2018
In Silico Studies of Mammalian δ-ALAD Interactions with Selenides and Selenoxides
Pablo Andrei Nogara, João Batista Teixeira Rocha
Molecular Informatics, 2018
Neurodevelopmental Effects of Mercury
Cláudia Sirlene Oliveira, Pablo A. Nogara, Daniel Mendes Pereira Ardisson-Araújo, Michael Aschner, João Batista Teixeira da Rocha, et al.
Advances in Neurotoxicology, 2018
Diselenoamino acid derivatives as GPx mimics and as substrates of TrxR:: In vitro and in silico studies
Jéssie Haigert Sudati, Pablo Andrei Nogara, Rogério Aquino Saraiva, Caroline Wagner, Eduardo Eliezer Alberto, Antonio Luiz Braga, Roselei Fachinetto, Paulo Cesar Piquini, João Batista Teixeira Rocha
Organic and Biomolecular Chemistry, 2018
Lophine and pyrimidine based photoactive molecular hybrids. Synthesis, photophysics, BSA interaction and DFT study
João Paulo Bizarro Lopes, Viktor Saraiva Câmara, Dennis Russowsky, Fabiano da Silveira Santos, Roiney Beal, Pablo Andrei Nogara, João Batista Teixeira da Rocha, Paulo Fernando Bruno Gonçalves, Fabiano Severo Rodembusch, Marco Antônio Ceschi
New Journal of Chemistry, 2018
1,1-Difluoro-3-aryl(heteroaryl)-1: H -pyrido[1,2- c] [1,3,5,2]oxadiazaborinin-9-ium-1-uides: Synthesis; Structure; and photophysical, electrochemical, and BSA-binding studies
Helio G. Bonacorso, Tainara P. Calheiro, Bernardo A. Iglesias, Thiago V. Acunha, Steffany Z. Franceschini, Alex Ketzer, Alexandre R. Meyer, Letícia V. Rodrigues, Pablo A. Nogara, João B. T. Rocha, Nilo Zanatta, Marcos A. P. Martins
New Journal of Chemistry, 2018
Organoselenium compounds as mimics of selenoproteins and thiol modifier agents
Nilda V. Barbosa, Cristina W. Nogueira, Pablo A. Nogara, Andreza F. de Bem, Michael Aschner, João B. T. Rocha
Metallomics, 2017
Regioselective synthesis, biological evaluation, and molecular docking of dihydropyrimidin-4-ols as acetylcholinesterase inhibitors
Andreia M. P. W. da Silva, Fabio M. da Silva, Pablo A. Nogara, Eduardo J. M. Dutra, Jonas D. S. Serres, Rogério A. Saraiva, Bruna C. Piccoli, Cláudia S. Oliveira, Maria R. C. Schetinger, Vera M. M. Morsch, João B. T. Rocha, Helio G. Bonacorso, Marcos A. P. Martins, Nilo Zanatta
Chemical Biology and Drug Design, 2017
Toxicology and anticancer activity of synthetic organoselenium compounds
Organoselenium Compounds in Biology and Medicine Synthesis Biological and Therapeutic Treatments, 2017
4-Organoseleno-Isoquinolines Selectively and Reversibly Inhibit the Cerebral Monoamine Oxidase B Activity
Tuane Bazanella Sampaio, Juliana Trevisan Da Rocha, Marina Prigol, Rogério Aquino Saraiva, Pablo Froner Nogara, André Luiz Agnes Stein, João Batista Teixeira da Rocha, Gilson Zeni, Cristina Wayne Nogueira
Journal of Molecular Neuroscience, 2016
Convergent synthesis and cytotoxicity of novel trifluoromethyl-substituted (1H-pyrazol-1-yl)(quinolin-4-yl) methanones
Helio G. Bonacorso, Pablo A. Nogara, Fernanda D’A. Silva, Wilian C. Rosa, Carson W. Wiethan, Nilo Zanatta, Marcos A.P. Martins, João B.T. Rocha
Journal of Fluorine Chemistry, 2016
Synthesis and antinociceptive activity of new 2-substituted 4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolines
Helio G. Bonacorso, Wilian C. Rosa, Sara M. Oliveira, Indiara Brusco, Camila C. Dalla Pozza, Pablo A. Nogara, Carson W. Wiethan, Melissa B. Rodrigues, Clarissa P. Frizzo, Nilo Zanatta
Bioorganic and Medicinal Chemistry Letters, 2016
Synthesis, biological evaluation and molecular docking study of 7-amine-spiro[chromeno[4,3-b]quinoline-6,1′-cycloalkanes] as new tacrine hybrids
Helio G. Bonacorso, Letícia B. Silva, João B.T. Rocha, Pablo A. Nogara, Emily P. Waczuk, Fernanda D’A. Silva, Diones C. Bueno, Yeriah N.A.M. Kader, Marcos A.P. Martins, Nilo Zanatta
Tetrahedron Letters, 2015
Virtual screening of acetylcholinesterase inhibitors using the lipinski's rule of five and ZINC databank
Pablo Andrei Nogara, Rogério de Aquino Saraiva, Diones Caeran Bueno, Lílian Juliana Lissner, Cristiane Lenz Dalla Corte, Marcos M. Braga, Denis Broock Rosemberg, João Batista Teixeira Rocha
Biomed Research International, 2015
Molecular docking studies of disubstituted diaryl diselenides as mammalian δ-aminolevulinic acid dehydratase enzyme inhibitors
R. A. Saraiva, D. C. Bueno, P. A. Nogara, J. B. T. Rocha
Journal of Toxicology and Environmental Health Part A Current Issues, 2012
Effect of Different Oximes on Rat and Human Cholinesterases Inhibited by Methamidophos: A Comparative In Vitro and In Silico Study
Thiago Henrique Lugokenski, Priscila Gubert, Diones Caeran Bueno, Pablo Andrei Nogara, Rogério de Aquino Saraiva, Rômulo Pillon Barcelos, Vanessa Santana Carratu, Leandro Bresolin, Nilda Berenice de Vargas Barbosa, Maria Ester Pereira, João Batista Teixeira da Rocha, Félix Alexandre Antunes Soares
Basic and Clinical Pharmacology and Toxicology, 2012
Pteridophytes: Ethnobotany and pharmacologic bioactivities
Natural Products Structure Bioactivity and Applications, 2012
Cytotoxic and tripanocide activities of pityrogramma calomelanos (L.) link
Teogenes M. de Souza, Maria F. B. M. Braga, Rogério A. Saraiva, Pablo A. Nogara, Diones C. Bueno, Aline A. Boligon, Margareth L. A. Fone, João B. T. da Rocha, Miriam Rolon, Celeste Vega, Antonieta Rojas de Arias, Jose G. M. Costa, Irwin R. Alencar de Menezes, Henrique D. M. Coutinho, Antônio A. F. Saraiva
American Fern Journal, 2012

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