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V. Maltarollo · SciRah

Researcher profile · Semantic Scholar

V. Maltarollo

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V. Maltarollo — researcher profile on SciRah

h-index: 23
Works: 135
Citations: 2,608

Most-cited papers

Use of machine learning approaches for novel drug discovery
A. N. Lima, E. A. Philot, G. Trossini, L. Scott +2 more
2016Expert Opinion on Drug Discovery225 citations
Semantic Scholar
Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review
S. Q. Pantaleão, Philipe O. Fernandes, José Eduardo Gonçalves, V. Maltarollo +1 more
2021ChemMedChem160 citations
Semantic Scholar
Synthesis, molecular modeling studies and evaluation of antifungal activity of a novel series of thiazole derivatives.
C. I. Lino, Igor Gonçalves de Souza, Beatriz Borelli, Thelma Tirone Silvério Matos +7 more
2018European journal of medicinal chemistry131 citations
Semantic Scholar
Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges
Rodolfo Simões, V. Maltarollo, P. R. Oliveira, K. M. Honório
2018Frontiers in Pharmacology113 citations Open access
Semantic Scholar
AI is a viable alternative to high throughput screening: a 318-target study
Izhar Wallach, Denzil Bernard, Kong Nguyen, Gregory Ho +496 more
2024Scientific Reports112 citations Open access
Semantic Scholar
Advances with support vector machines for novel drug discovery
V. Maltarollo, T. Kronenberger, G. Z. Espinoza, P. R. Oliveira +1 more
2018Expert Opinion on Drug Discovery90 citations
Semantic Scholar
Black tea kombucha: Physicochemical, microbiological and comprehensive phenolic profile changes during fermentation, and antimalarial activity.
Marcel Cardoso de Noronha, R. R. Cardoso, Carolina Thomaz Dos Santos D'Almeida, Mariana Araújo Vieira Do Carmo +7 more
2022Food Chemistry86 citations
Semantic Scholar
Do Drug‐likeness Rules Apply to Oral Prodrugs?
Ícaro F. Protti, D. Rodrigues, Sofia K. Fonseca, R. Alves +2 more
2021ChemMedChem79 citations
Semantic Scholar
Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery
Celio F. Lipinski, V. Maltarollo, P. R. Oliveira, Albérico B. F. da Silva +1 more
2019Frontiers in Robotics and AI66 citations Open access
Semantic Scholar
The application of machine learning techniques to innovative antibacterial discovery and development
M. Serafim, T. Kronenberger, P. R. Oliveira, A. Poso +3 more
2020Expert Opinion on Drug Discovery43 citations
Semantic Scholar
HQSAR and random forest-based QSAR models for anti-T. vaginalis activities of nitroimidazoles derivatives.
G. Veríssimo, Evaldo Francisco Menezes Dutra, Anna Letícia Teotonio Dias, Philipe de Oliveira Fernandes +3 more
2019Journal of Molecular Graphics and Modelling30 citations
Semantic Scholar
Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade
M. Serafim, Valtair Severino dos Santos, J. Gertrudes, V. Maltarollo +1 more
2021Expert Opinion on Drug Discovery27 citations
Semantic Scholar
Antibacterial activity of synthetic 1,3‐bis(aryloxy)propan‐2‐amines against Gram‐positive bacteria
M. Serafim, S. N. Lavorato, T. Kronenberger, Y. V. Sousa +6 more
2019MicrobiologyOpen27 citations Open access
Semantic Scholar
Study on molecular structure, spectroscopic properties (FTIR and UV-Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer.
M. O. Almeida, Daiane A. S. Barros, S. C. Araujo, S. H. D. M. Faria +2 more
2017Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy26 citations Open access
Semantic Scholar
Blackcurrant press cake by-product: Increased chemical bioaccessibility and reduced antioxidant protection after in vitro simulation of gastrointestinal digestion.
Amanda dos Santos Lima, V. Maltarollo, Mariana Araújo Vieira Do Carmo, Lucas Cezar Pinheiro +5 more
2024Food Research International25 citations Open access
Semantic Scholar
Atherosclerosis fate in the era of tailored functional foods: Evidence-based guidelines elicited from structure- and ligand-based approaches
L. Azevedo, M. Serafim, V. Maltarollo, A. Grabrucker +1 more
2022Trends in Food Science & Technology25 citations Open access
Semantic Scholar
Preclinical toxicity of innovative molecules: In vitro, in vivo and metabolism prediction.
D. R. Tonholo, V. Maltarollo, T. Kronenberger, I. Silva +4 more
2019Chemico-Biological Interactions23 citations
Semantic Scholar
Quantitative structure–activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors
R. A. Gomes, G. L. Genesi, V. Maltarollo, G. Trossini
2017Journal of Biomolecular Structure and Dynamics23 citations
Semantic Scholar
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus
P. O. Fernandes, Anna L.T. Dias, Valtair Severino dos Santos, Mateus Sá Magalhães Serafim +16 more
2024Journal of Chemical Information and Modeling17 citations Open access
Semantic Scholar
Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors
S. C. Araujo, V. Maltarollo, M. O. Almeida, Leonardo L. G. Ferreira +2 more
2020Molecules17 citations Open access
Semantic Scholar
GQ-11: A new PPAR agonist improves obesity-induced metabolic alterations in LDLr−/− mice
Jacqueline C Silva, E. D. de Oliveira, W. Turato, G. Trossini +7 more
2018International Journal of Obesity17 citations
Semantic Scholar
Application of bioisosterism in design of the semicarbazone derivatives as cruzain inhibitors: a theoretical and experimental study
Drielli Gomes Vital, F. S. Damasceno, L. N. Rapado, A. M. Silber +4 more
2017Journal of Biomolecular Structure and Dynamics17 citations
Semantic Scholar
Green banana (Musa ssp.) mixed pulp and peel flour: A new ingredient with interesting bioactive, nutritional, and technological properties for food applications.
Leonara Martins Viana, Fabiana Silva Rocha Rodrigues, M. C. B. Santos, Amanda dos Santos Lima +10 more
2024Food Chemistry16 citations
Semantic Scholar
Molecular insights on ABL kinase activation using tree-based machine learning models and molecular docking
P. O. Fernandes, D. M. Martins, Aline de Souza Bozzi, J. Martins +2 more
2021Molecular diversity16 citations Open access
Semantic Scholar
Synthesis of quinoline derivatives as potential cysteine protease inhibitors.
Marina M. S. Andrade, L. C. Martins, G. Marqués, C. A. Silva +7 more
2020Future Medicinal Chemistry16 citations
Semantic Scholar
Synthesis of arylfuran derivatives as potential antibacterial agents
Marina M. S. Andrade, Ícaro F. Protti, V. Maltarollo, Ygor F. G. da Costa +10 more
2021Medicinal Chemistry Research15 citations
Semantic Scholar
In vitro and in silico studies of antioxidant activity of 2-thiazolylhydrazone derivatives.
V. Maltarollo, Marina Ferrara de Resende, T. Kronenberger, C. I. Lino +5 more
2019Journal of Molecular Graphics and Modelling15 citations
Semantic Scholar
Antioxidant, Antiproliferative, Antibacterial, and Antimalarial Effects of Phenolic-Rich Green Tea Kombucha
Udielle Vermelho Lacerda, Carolina Vargas Pereira da Costa, R. R. Cardoso, Carolina Thomaz Dos Santos D'Almeida +12 more
2024Beverages14 citations Open access
Semantic Scholar
Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors.
V. Maltarollo, E. B. da Silva, Thales Kronenberger, Marina Mol Sena Andrade +30 more
2023Future Medicinal Chemistry14 citations
Semantic Scholar
Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates
M. Serafim, J. Gertrudes, D. M. A. Costa, P. R. Oliveira +2 more
2021Bioscience Reports14 citations Open access
Semantic Scholar
Organo-Iodine ( III )-Catalyzed Oxidative Phenol – Arene and Phenol – Phenol Cross-Coupling Reaction
L. C. Rezende, Julia Possamai Gimenes, V. Maltarollo, J. Dale +2 more
201614 citations
Semantic Scholar
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
M. Serafim, Thales Kronenberger, R. E. O. Rocha, Amanda Del Rio Abreu Rosa +7 more
2024Journal of Chemical Information and Modeling13 citations
Semantic Scholar
A critical assessment of bioactive compounds databases.
Daniela Quadros de Azevedo, Beatriz Mattos Campioni, Felipe Augusto Pedroz Lima, Josė L. Medina-Franco +2 more
2024Future Medicinal Chemistry13 citations Open access
Semantic Scholar
A mosaic-structured framework applied in the healthy food design: insights from integrated in silico and in vitro approaches
L. Azevedo, D. Granato, V. Maltarollo, J. Gonçalves
2023Current Opinion in Food Science13 citations Open access
Semantic Scholar
Studies of Staphylococcus aureus FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses.
T. Kronenberger, Leonardo Rander Asse, C. Wrenger, G. Trossini +2 more
2017Future Medicinal Chemistry13 citations
Semantic Scholar
New anti-SARS-CoV-2 aminoadamantane compounds as antiviral candidates for the treatment of COVID-19
Daisymara Priscila de Almeida Marques, L. Andrade, Erik Reis, F. Clarindo +23 more
2023Virus Research12 citations Open access
Semantic Scholar
Virtual screening of antibacterial compounds by similarity search of Enoyl-ACP reductase (FabI) inhibitors.
Leonardo Rander Asse, Thales Kronenberger, Mateus Sá Magalhães Serafim, Y. V. Sousa +10 more
2019Future Medicinal Chemistry12 citations
Semantic Scholar
Targeting the Plasmodium falciparum plasmepsin V by ligand‐based virtual screening
K. A. Meissner, Thales Kronenberger, V. Maltarollo, G. Trossini +1 more
2018Chemical Biology and Drug Design12 citations
Semantic Scholar
Molecular cloning and characterization of pirarucu (Arapaima gigas) follicle-stimulating hormone and luteinizing hormone β-subunit cDNAs
T. Sevilhano, Roberto Feitosa de Carvalho, Nélio Alessandro de Jesus Oliveira, J. Oliveira +4 more
2017PLoS ONE12 citations Open access
Semantic Scholar
Advances and Challenges in Drug Design of PPARδ Ligands.
V. Maltarollo, T. Kronenberger, B. Windshügel, C. Wrenger +2 more
2017Current Drug Targets12 citations
Semantic Scholar
MD simulations and multivariate studies for modeling the antileishmanial activity of peptides
Mirian Elisa Rodrigues Guerra, V. Fadel, V. Maltarollo, Gisele Baldissera +3 more
2017Chemical Biology and Drug Design12 citations
Semantic Scholar
Structure‐Guided Drug Design Targeting Abl Kinase: How Structure and Regulation Can Assist in Designing New Drugs
D. M. Martins, Philipe O. Fernandes, Lucas A. Vieira, V. Maltarollo +1 more
2024ChemBioChem11 citations
Semantic Scholar
Discovery of Lead 2-Thiazolylhydrazones with Broad-Spectrum and Potent Antifungal Activity.
Nereu Junio Cândido Oliveira, Valtair Severino dos Santos, I. Pierotte, V. Leocádio +14 more
2023Journal of Medicinal Chemistry11 citations
Semantic Scholar
Synthetic Curcumin Analogues Present Antiflavivirus Activity In Vitro with Potential Multiflavivirus Activity from a Thiazolylhydrazone Moiety
M. Serafim, Thales Kronenberger, R. D. de Oliveira, E. Kroon +3 more
2023Future Pharmacology11 citations Open access
Semantic Scholar
The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design
G. Veríssimo, Valtair Severino dos Santos, Ingrid Ariela Do Rosário de Almeida, M. Ruas +4 more
2022Molecular diversity11 citations Open access
Semantic Scholar
The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study
M. Serafim, S. Q. Pantaleão, E. B. da Silva, J. McKerrow +4 more
2023Frontiers in Drug Discovery10 citations Open access
Semantic Scholar
Overcoming class imbalance in drug discovery problems: Graph neural networks and balancing approaches.
Rafael Lopes Almeida, V. Maltarollo, F. Coelho
2023Journal of Molecular Graphics and Modelling10 citations
Semantic Scholar
The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery.
S. Q. Pantaleão, D. G. V. Fujii, V. Maltarollo, Danielle da C Silva +4 more
2017Medicinal chemistry10 citations
Semantic Scholar
Trends and challenges in chemoinformatics research in Latin America
Jazmín Miranda-Salas, Carlos Peña-Varas, I. V. Martínez, Dionisio A Olmedo +7 more
2023Artificial Intelligence in the Life Sciences9 citations Open access
Semantic Scholar
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches
Henrique Barbosa, G. Z. Espinoza, Maiara Amaral, E. V. de Castro Levatti +7 more
2023Journal of Chemical Information and Modeling9 citations
Semantic Scholar

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K. M. Honório×16
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G. Trossini×10
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M. Serafim×10
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Thales Kronenberger×8
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T. Kronenberger×7

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R. D. de Oliveira×6

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P. R. Oliveira×5

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