Has experience in the field of Organic Chemistry working in Medicinal Chemistry. It develops research with search of new active molecules in plant species used in folk medicine, synthesis and semi-synthesis of active molecules from natural models, application of bench bioassays, exploitation of the natural resources of the South Atlantic Forest with a view to obtaining new substances with therapeutic properties. At present he has been dedicated to the planning, synthesis and biological evaluation of new chemotherapeutic agents for the Treatment of Chagas Disease, Cancer and Alzheimer Disease, by in vitro, in vivo and in silico assays.
In Silico Studies and Biological Evaluation of Thiosemicarbazones as Cruzain-Targeting Trypanocidal Agents for Chagas Disease Lidiane Meier, Milena F. C. V. de Melo, Heitor R. Abreu, Isabella M. e Oliveira, Larissa Sens, et al. Pharmaceutics, 2026 Background/Objectives: Chagas disease remains a major unmet medical need due to the limited efficacy and safety of current therapies. Here, we investigated sixteen thiosemicarbazone (TSC) derivatives as cruzain inhibitors using an integrated in silico/in vitro workflow. Methods: Docking against cruzain (PDB 3KKU) guided hit prioritization and correlated with enzyme inhibition; validation by redocking supported the protocol’s reliability. Results: The top compounds—H7, H10 and H11—showed potent cruzain inhibition (IC50 = 0.306, 0.512 and 0.412 µM, respectively) and low-micromolar trypanocidal activity, with negligible cytotoxicity in human fibroblasts (CC50 > 64 µM) and favorable selectivity. Structure–activity insights highlighted the role of expanded aromatic systems and electron-donating groups in enhancing binding within S2/S1′ subsites, while nitro substituents were associated with higher cytotoxicity. In silico ADMET parameters supported oral drug-likeness and acceptable metabolic liabilities. Conclusions: Overall, these data position TSCs as promising anti-T. cruzi leads and underscore the value of rational design against cruzain.
MEDICINAL CHEMISTRY IN POPULAR CULTURE: AN ANALYSIS OF THE REPRESENTATION OF BIOACTIVE SUBSTANCES IN CARTOONS AND GAMES Aldo S. de Oliveira, Angelica Justino, Thiago H. Doring, Vanessa Nascimento Quimica Nova, 2025 This study investigates the representation of bioactive substances in popular culture, with a special focus on cartoons and games, through the lens of Medicinal Chemistry. We explore how these substances, often complex in their composition and effects, are reinterpreted and simplified to fit into fictional narratives, influencing the public perception of science. Taking iconic examples such as “Alice in Wonderland”, “Mario Bros”, “Popeye”, and “Asterix and Obelix”, we analyze not only how science is interpreted but also how it is transformed into narrative elements, fueling imagination and shaping cultural perceptions. Furthermore, this research aims to fill a gap in the literature by introducing a multidisciplinary approach that integrates concepts of Medicinal Chemistry with media analysis and molecular modeling. The inclusion of these novel data and analyses not only enriches our understanding of representations of psychoactive substances in popular culture but also provides valuable insights for research in Medicinal Chemistry and the development of future pharmacological therapies. By highlighting the importance of public science communication and media literacy, this study contributes to promoting critical thinking and a broader appreciation of the intersection between science, popular culture, and entertainment.
Sulfur/selenium-functionalized benzotriazoles as multifunctional antivirals targeting Zika & Chikungunya Luana S Gomes, C. Cirne-Santos, Caroline de S Barros, Rafael R Batista, Matheus R de P Ignacio, et al. Future Medicinal Chemistry, 2025 AIMS Emerging arboviruses such as Zika virus (ZIKV) and Chikungunya virus (CHIKV) remain significant public health threats. This study aimed to evaluate the antiviral potential of six organochalcogen compounds against ZIKV and CHIKV. MATERIALS & METHODS Compounds were assessed for cytotoxicity and antiviral activity in Vero cells. Antiviral effects were determined using plaque reduction assays, time-of-addition studies, viral adsorption, and virucidal assays. Molecular docking and density functional theory (DFT) calculations were performed to investigate interactions with viral targets and electronic properties. RESULTS Compounds 4, 7, 8, and 9 exhibited potent antiviral activity with low cytotoxicity, demonstrating effective inhibition of viral replication with half-maximal effective concentration (EC₅₀) values in the micromolar range and favorable selectivity indices. Mechanistic assays revealed that the compounds interfered with viral adsorption, exhibited virucidal effects, and inhibited multiple stages of the replication cycle. Docking studies confirmed strong binding to key viral enzymes, supported by HOMO (half-maximal effective concentration) - LUMO (lowest unoccupied molecular orbital) analysis. CONCLUSIONS These findings highlight organochalcogen compounds as promising dual-action antiviral candidates with broad-spectrum activity against ZIKV and CHIKV. Further preclinical investigations are warranted to explore their therapeutic potential.
New Tacrine Dimers Alleviate the Intracellular Amyloid-β-induced Cognitive Disturbance and Oxidative Stress in Mice ANA ELISA GONÇALVES, OTTO SPIGARIOL, LUÍSA M. DA SILVA, YURI F. REGO, CLARA HERRERA-AROZAMENA, et al. Anais Da Academia Brasileira De Ciencias, 2025 This study aimed to investigate <italic>in vivo</italic> and <italic>ex-vivo</italic> the effects of tacrine dimers (TD1, TD2, TD3 and TD4) in mice with Alzheimer’s disease (AD) induced by amyloid peptide (A<italic>β</italic>42) and, respectively, evaluated in behavioral tests of cognition, oxidative stress and neuroinflammation. All dimers reduced the cognitive deficit caused by A<italic>β</italic>42, oxidative stress and neuroinflammation, especially the compound TD4. By ADMET analysis (SwissADME and pkCSM 2.10 platforms), TD4 exhibited favorable pharmacokinetic properties with the control drug. The results suggest a therapeutic potential for AD for these compounds, given their distinct cognitive and neuroprotective effects in AD models induced by A<italic>β</italic>42.
Real-time and video-recorded pain assessment in beef cattle: clinical application and reliability in young, adult bulls undergoing surgical castration Rubia Mitalli Tomacheuski, Alice Rodrigues de Oliveira, Pedro Henrique Esteves Trindade, Magdiel Lopez-Soriano, Victoria Rocha Merenda, et al. Scientific Reports, 2024 Bovine pain assessment relies on validated behavioral scales related to normal and pain-related behaviors. This study investigated the reliability and applicability of real-time and video-recorded pain assessment, and their agreement, in young, adult bulls undergoing surgical castration. Ten Nelore and nine Angus bulls underwent general anesthesia and surgical castration. Three-minute real-time observations and simultaneous videos were recorded at − 48 h (M0), before sedation, under fasting (M1), after surgery, 3 h after sternal recumbency (M2), after rescue analgesia (M3) and at 24 h (M4). Animals received morphine (after M2), dipyrone (after M3), and flunixin meglumine after surgical castration (M4). Two trained evaluators assessed real-time (n = 95) and video-recorded time-points (n = 95) using the Unesp-Botucatu Cattle Pain Scale (UCAPS). Both assessment methods inferred ‘very good’ reliability (≥ 0.81) with minimal bias, however, video-recorded assessment (4.33 ± 2.84) demonstrated slightly higher scores compared to real-time (3.08 ± 2.84). The results from this study suggest that UCAPS can be used in real-time or video-recorded to assess pain and guide analgesic therapy in cattle.
AI is a viable alternative to high throughput screening: a 318-target study Izhar Wallach, Denzil Bernard, Kong Nguyen, Gregory Ho, Adrian Morrison, et al. Scientific Reports, 2024 High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery.
New Chalcogen-Functionalized Naphthoquinones: Design, Synthesis, and Evaluation, In Vitro and In Silico, against Squamous Cell Carcinoma Luana da Silva Gomes, Érica de Oliveira Costa, Thuany G. Duarte, Thiago S. Charret, Raquel C. Castiglione, et al. ACS Omega, 2024 Due to the growth in the number of patients and the complexity involved in anticancer therapies, new therapeutic approaches are urgent and necessary. In this context, compounds containing the selenium atom can be employed in developing new medicines due to their potential therapeutic efficacy and unique modes of action. Furthermore, tellurium, a previously unknown element, has emerged as a promising possibility in chalcogen-containing compounds. In this study, 13 target compounds (9a–i, 10a–c, and 11) were effectively synthesized as potential anticancer agents, employing a CuI-catalyzed Csp-chalcogen bond formation procedure. The developed methodology yielded excellent results, ranging from 30 to 85%, and the compounds were carefully characterized. Eight of these compounds showed promise as potential therapeutic drugs due to their high yields and remarkable selectivity against SCC-9 cells (squamous cell carcinoma). Compound 10a, in particular, demonstrated exceptional selectivity, making it an excellent choice for cancer cell targeting while sparing healthy cells. Furthermore, complementing in silico and molecular docking studies shed light on their physical features and putative modes of action. This research highlights the potential of these compounds in anticancer treatments and lays the way for future drug development efforts.
A meta-analysis and meta-regression to compare the production performance, feed efficiency, and milk N efficiency in Jersey versus Holstein cows KV Almeida, JP Sacramento, DC Reyes, AS Oliveira, R Martineau, ... Journal of Dairy Science , 2026 2026
Evaluating the Efficacy and Safety of Tonic Motor Activation in Restless Legs Syndrome: A Systematic Review with Meta-Analysis JVP Gonzalez, L Falcão, J Tekchandani, G Nunes, K Ogasawara, ... Sleep Medicine 138, 107897 , 2026 2026
Neurological approaches to restless legs syndrome: a systematic review of non-pharmacological interventions JVP Gonzalez, C Fingergut, L Falcão, A Oliveira, G Garrido, L Lopes, ... Sleep Medicine 138, 107901 , 2026 2026
In Silico Studies and Biological Evaluation of Thiosemicarbazones as Cruzain-Targeting Trypanocidal Agents for Chagas Disease L Meier, MFCV de Melo, HR Abreu, IM Oliveira, L Sens, TH Doring, ... Pharmaceutics 18 (1), 65 , 2026 2026
Multifunctional Carvacrol-based Organoselenium hybrids as anticholinesterase and antioxidant candidates for Alzheimer's therapy LS Gomes, MCGM Schülerb, GB Giannini, E Zapp, AS De Oliveira, ... Bioorganic & Medicinal Chemistry, 118447 , 2025 2025 Citations: 3
654-HOW FOOD INSECURITY CAN PROSPECTIVELY INFLUENCE APPETITE IN ADOLESCENTS FROM THE GENERATION XXI COHORT? A Costa, MM Hetherington, A Oliveira Gac Sanit 39 (S2), 290 , 2025 2025
Indole amide derivatives in Alzheimer’s disease: advancing from synthesis to drug discovery A Justino, TH Doring, JW da Cruz Jr, AL Braga, AS de Oliveira Discover Chemistry 2 (1), 175 , 2025 2025 Citations: 2
Evaluation of Double Acid Attack (Dae) on Deformed and Aged Ti-xNb-ySn Alloys for Application in Implants MV Silva, ECS Barboza, AS Oliveira, MA Rocha, LL Santos, AS Oliveira, ... Materials Research 28 (Suppl 1), e20250251 , 2025 2025
New Tacrine Dimers Alleviate the Intracellular Amyloid-β-induced Cognitive Disturbance and Oxidative Stress in Mice AE Gonçalves, O Spigariol, LMDA Silva, YF Rego, C Herrera-Arozamena, ... Anais da Academia Brasileira de Ciências 97 (Suppl. 2), e20241163 , 2025 2025
Diffuse Alveolar Hemorrhage in ANCA-Associated Vasculitis IS Lee New England Journal of Medicine 393 (1), 72-72 , 2025 2025 Citations: 1
Sulfur/selenium-functionalized benzotriazoles as multifunctional antivirals targeting Zika & Chikungunya LS Gomes, CC Cirne-Santos, C de S. Barros, RR Batista, ... Future Medicinal Chemistry 17 (12), 1363-1375 , 2025 2025 Citations: 2
Surface Analysis of Anodized Ti-45Nb Alloy AS Oliveira, ECS Barboza, MA Rocha, MV Silva, DF Rocha, IS Santos, ... Materials Research 28 (Suppl 1), e20250226 , 2025 2025 Citations: 1
Design, Synthesis, and In Vitro Evaluation of 4-(Arylchalcogenyl)methyl)-1H-1,2,3-triazol-1-yl-menadione: Exploring Their Potential Against Tuberculosis NLB Santos, LS Gomes, RCB Ribeiro, AS Carvalho, MCS Lourenço, ... Pharmaceuticals 18 (6), 797 , 2025 2025 Citations: 1
DA FUNDAÇÃO DA CASA POPULAR AO PROGRAMA MINHA CASA, MINHA VIDA: RESSIGNIFICAÇÕES DA CATEGORIA “POPULAR” NA POLÍTICA HABITACIONAL BRASILEIRA D FERREIRA, A OLIVEIRA CONTRIBUCIONES A LAS CIENCIAS SOCIALES 18 (1), e14400 , 2025 2025
SUBDESENVOLVIMENTO E DEPENDÊNCIA: APONTAMENTOS SOBRE O AVANÇO DO AGRONEGÓCIO A OLIVEIRA, D FERREIRA CONTRIBUCIONES A LAS CIENCIAS SOCIALES 18 (1), e14697 , 2025 2025
Bridging traditional and contemporary approaches in computational medicinal chemistry: opportunities for innovation in drug discovery AS de Oliveira RSC Medicinal Chemistry 16 (12), 5953-5963 , 2025 2025 Citations: 4
ABORDAGENS TEÓRICAS SOBRE A CIDADE: ROBERT ERZA PARK E HENRI LEFEBVRE EM DEBATE D FERREIRA, A OLIVEIRA POLÍTICAS PÚBLICAS & CIDADES Учредители: South Florida Publishing LLC eISSN … , 2025 2025
MEDICINAL CHEMISTRY IN POPULAR CULTURE: AN ANALYSIS OF THE REPRESENTATION OF BIOACTIVE SUBSTANCES IN CARTOONS AND GAMES AS Oliveira, A Justino, TH Doring, V Nascimento Química Nova 48, e-20250088 , 2025 2025
Structure‐Metabolism Relationships of Benzimidazole Derivatives with anti‐ Trypanosoma cruzi Activity for Chagas Disease RM Espinoza‐Chávez, C de Oliveira Rezende Júnior, ... ChemMedChem 19 (20), e202400293 , 2024 2024 Citations: 3
Energy requirement for primiparous Holstein× Gyr crossbred dairy cows JP Sacramento, AS Oliveira, AE Leao, AP Fonseca, SG Coelho, ... Journal of Dairy Science 107 (9), 6686-6695 , 2024 2024 Citations: 3
MOST CITED SCHOLAR PUBLICATIONS
Prevalence study of signs and symptoms of temporomandibular disorders in university students CR Pedroni, AS De Oliveira, MI Guaratini Journal of oral rehabilitation 30 (3), 283-289 , 2003 2003 Citations: 482
Use of the Fonseca's questionnaire to assess the prevalence and severity of temporomandibular disorders in Brazilian dental undergraduates K Nomura, M Vitti, AS Oliveira, TC Chaves, M Semprini, S Siéssere, ... Brazilian dental journal 18, 163-167 , 2007 2007 Citations: 341
The Southern Photometric Local Universe Survey (S-PLUS): improved SEDs, morphologies, and redshifts with 12 optical filters C Mendes de Oliveira, T Ribeiro, W Schoenell, A Kanaan, RA Overzier, ... Monthly Notices of the Royal Astronomical Society 489 (1), 241-267 , 2019 2019 Citations: 295
Prevalence study of signs and symptoms of temporomandibular disorder in Brazilian college students AS Oliveira, EM Dias, RG Contato, F Berzin Brazilian oral research 20, 3-7 , 2006 2006 Citations: 264
Prospective scenarios: A literature review on the Scopus database AS Oliveira, MD de Barros, F de Carvalho Pereira, CFS Gomes, ... Futures 100, 20-33 , 2018 2018 Citations: 136
Heart transplantation in 107 cases of Chagas' disease AI Fiorelli, RHB Santos, JL Oliveira Jr, DD Lourenço-Filho, RR Dias, ... Transplantation proceedings 43 (1), 220-224 , 2011 2011 Citations: 121
de.(2009) AS Oliveira, I Freire Desvendando a religião e as religiões mundiais em Max Weber. Horizonte 7 (14 … , 2008 2008 Citations: 85
Multiple criteria decision making and prospective scenarios model for selection of companies to be incubated AS Oliveira, CFS Gomes, CT Clarkson, AM Sanseverino, MRS Barcelos, ... Algorithms 14 (4), 111 , 2021 2021 Citations: 69
Design, synthesis and evaluation of seleno-dihydropyrimidinones as potential multi-targeted therapeutics for Alzheimer's disease RFS Canto, FAR Barbosa, V Nascimento, AS de Oliveira, IMC Brighente, ... Organic & biomolecular chemistry 12 (21), 3470-3477 , 2014 2014 Citations: 60
Periodontal disease and oral health‐related behavior as factors associated with preterm birth: a case–control study in s outh‐eastern B razil JF Macedo, RA Ribeiro, FC Machado, N Assis, RT Alves, AS Oliveira, ... Journal of periodontal research 49 (4), 458-464 , 2014 2014 Citations: 57
Reliability of fleximetry and goniometry for assessing cervical range of motion among children TC Chaves, HM Nagamine, JFC Belli, MCT de Hannai, ... Brazilian Journal of Physical Therapy 12, 283-289 , 2008 2008 Citations: 54
Carajurin Induces Apoptosis in Leishmania amazonensis Promastigotes through Reactive Oxygen Species Production and Mitochondrial Dysfunction JV Silva-Silva, CJ Moragas-Tellis, MSS Chagas, PVR Souza, DL Moreira, ... Pharmaceuticals 15 (3), 331 , 2022 2022 Citations: 36
Chalcone derivatives as antibacterial agents: An updated overview AS de Oliveira, AR Cenci, L Gonçalves, MEC Thedy, A Justino, AL Braga, ... Current Medicinal Chemistry 31 (17), 2314-2329 , 2024 2024 Citations: 33
Ameliorative potential of standardized fruit extract of Pterodon pubescens Benth on neuropathic pain in mice: Evidence for the mechanisms of action C Nucci-Martins, DF Martins, LF Nascimento, D Venzke, AS Oliveira, ... Journal of Ethnopharmacology 175, 273-286 , 2015 2015 Citations: 33
Antioxidant and antifungal activity of naphthoquinones dimeric derived from lawsone AS de Oliveira, IMC Brighente, RG Lund, LC Llanes, RJ Nunes, ... J. Biosci. Med 5 (2), 39-48 , 2017 2017 Citations: 32
Synthesis, antioxidant activity, acetylcholinesterase inhibition and quantum studies of thiosemicarbazones L Sens, AS Oliveira, A Mascarello, I Brighente, RA Yunes, RJ Nunes Journal of the Brazilian Chemical Society 29, 343-352 , 2018 2018 Citations: 30
Selenium-derivative compounds: A review of new perspectives in the treatment of Alzheimer’s disease FAR Barbosa, RFS Canto, KF Teixeira, AS de Souza, AS de Oliveira, ... Current Medicinal Chemistry 30 (6), 689-700 , 2023 2023 Citations: 28
Phomoxanthone A, Compound of Endophytic Fungi Paecilomyces sp. and Its Potential Antimicrobial and Antiparasitic GC Ramos, JV Silva-Silva, LA Watanabe, JES Siqueira, F Almeida-Souza, ... Antibiotics 11 (10), 1332 , 2022 2022 Citations: 27
Carajurin: A anthocyanidin from Arrabidaea chica as a potential biological marker of antileishmanial activity JV Silva-Silva, CJ Moragas-Tellis, MSS Chagas, PVR Souza, DL Moreira, ... Biomedicine & Pharmacotherapy 141, 111910 , 2021 2021 Citations: 27
Preparation, characterization, cytotoxicity and antioxidant activity of DOPA melanin modified by amino acids: melanin-like oligomeric aggregates TG Costa, MJ Feldhaus, FS Vilhena, M Heller, GA Micke, AS Oliveira, ... Journal of the Brazilian Chemical Society 26 (2), 273-281 , 2015 2015 Citations: 25