Káthia M. Honório

Universidade de São Paulo — Brazil

Computer Science · Physical Sciences

27h-index3.5kcitations197works2.22yr avg
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Research Topics

Computational Drug Discovery Methods(77), Free Radicals and Antioxidants(18), Analytical Chemistry and Chromatography(15), Synthesis and biological activity(13), Electrochemical Analysis and Applications(11)

Publications197 total

Exploring CB2 Agonists: Virtual Screening and Molecular Dynamics for Osteoarthritis Therapy
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
Computational and experimental studies to discover a promising lead compound, chemically related to natural acetylene acetogenins from Porcelia macrocarpa, against amastigotes of Leishmania (L.) infantum
Journal of Computer-Aided Molecular Design·2025
Electrochemical determination of Diuron in Brazilian crops: f-MWCNT@Chi-AgNPs nanocomposite-modified screen-printed electrode for food safety monitoring
FlatChem·2025
In-situ electrogeneration of H2O2 and hydroxyl radical applied for venlafaxine degradation: A novel strategy using FeSe2-modified carbon gas diffusion electrode
Chemical Engineering Journal·2025· 3 citedOpen Access
Advances and Challenges in Molecular Docking Applied to Neglected Tropical Diseases
Current Medicinal Chemistry·2025· 3 citedOpen Access
Mulheres na Mecânica Quântica: A Força Feminina em Superposição com a Ciência
Revista Virtual de Química·2025Open Access
Machine Learning Models for the Identification of Natural Products with Anti-Schistosomiasis Activity
Journal of the Brazilian Chemical Society·2025Open Access
Semisynthetic p‐Coumaric Acid Derivatives as Lead Dual Inhibitors Against DPP‐IV and GSK‐3β for Antidiabetic Therapy
Chemical Biology & Drug Design·2024· 4 citedOpen Access
Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease
Journal of Molecular Modeling·2024· 2 cited
Glycosylated flavonoid kaempferitrin: Electroanalytical detection and the proposal of an oxidation mechanism supported by quantum chemical calculations
Talanta·2024Open Access
Monitoring Photo-Fenton and Photo-Electro-Fenton process of contaminants emerging concern by a gas diffusion electrode using Ca10-xFex-yWy(PO4)6(OH)2 nanoparticles as heterogeneous catalyst
Chemosphere·2024· 9 citedOpen Access
A potential antiviral against COVID-19 obtained from Byrsonima coccolobifolia leaves extract
Fitoterapia·2024· 6 citedOpen Access
Glycosilated Flavonoid Kaempferitrin: Electroanalytical Detection and the Proposal of an Oxidation Mechanism Supported by Quantum Chemical Calculations
SSRN Electronic Journal·2024Open Access
Molecular Docking: State-of-the-Art Scoring Functions and Search Algorithms
Computer-aided drug discovery and design·2024· 8 cited
Machine Learning and Neural Network Methods Applied to Drug Discovery
Computer-aided drug discovery and design·2024
Effect of Ca10-Xfex-Ywy(Po4)6(Oh)2 Nanoparticles as Heterogeneous Catalyst in the Degradation of Contaminants Emerging Concern Under Photo-Fenton and Photo-Electro-Fenton Using a Gas Diffusion Electrode
SSRN Electronic Journal·2024Open Access
Andrographolide: A Diterpenoid from <i>Cymbopogon schoenanthus</i> Identified as a New Hit Compound against <i>Trypanosoma cruzi</i> Using Machine Learning and Experimental Approaches
Journal of Chemical Information and Modeling·2023· 7 citedOpen Access
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling
Journal of Computer-Aided Molecular Design·2023· 5 citedOpen Access
MASSA Algorithm: automated rational sampling of training and test subsets for QSAR modelling
2023· 1 citedOpen Access
The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study
Frontiers in Drug Discovery·2023· 8 citedOpen Access
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Frequent Co-authors

Albérico B. F. da Silva(23), Vinícius Gonçalves Maltarollo(20), Patrícia R. Oliveira(7), Adriano D. Andricopulo(5), Saulo L. da Silva(5), Karen C. Weber(5), Gustavo Henrique Goulart Trossini(4), Jadson Castro Gertrudes(4), Paula Homem‐de‐Mello(4), Fábio Alberto de Molfetta(4), Ademir J. Camargo(4), Ana Lígia Scott(3), Thales Kronenberger(3), Mauro C. Santos(3), Agnaldo Arroio(3), Mateus Sá Magalhães Serafim(3), Aline Thaís Bruni(3), Ricardo Mercadante(3), Cláudio Nahum Alves(3), Angélica Nakagawa Lima(2)