CV Lattes
ResearcherID
ORCID
Universidade de São Paulo (USP). Escola de Artes, Ciências e Humanidades (EACH) (Institutional affiliation for the last research proposal) Birthplace: Brazil
BS in Chemistry from IQSC-USP, PhD in Physical Chemistry from IQSC-USP and post-doctor in Medicinal and Computational Chemistry from IFSC-USP. Currently, she is associate professor at USP and scholarship of research productivity (CNPq). Research interests: medicinal chemistry, computational chemistry, molecular modeling, and cancer. Referee of various scientific journals and funding agencies. The researcher has more than 100 articles published in scientific journal, papers published in national and international conferences, book chapters and coordination of projects funded by FAPESP and CNPq. She was awarded the prize "For Women in Science", awarded by L'Oreal, UNESCO and Brazilian Academy of Sciences. (Source: Lattes Curriculum)
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To develop a new medicine, investigators must analyze the biological targets of a given disease, discover and develop drug candidates for these targets, performing in parallel, biological laboratory tests to validate the drug effectiveness and side effects. The Quantitative Study of Activity-Structure Relationships (QSAR) involves building regression models that relate a set of descriptor…
Neglected diseases are considered a serious and growing public health problem in developing countries because of the increased prevalence, morbidity, and mortality. Thus, this project proposes structural and molecular modeling studies for natural and synthetic substances involved in important neglected diseases, such as Chagas' disease and leishmaniasis. The main objective of this study i…
This project considers the identification, biological evaluation and design of new ligands for the peroxisome proliferator-activated receptor delta (PPAR-delta), biological target involved in the several metabolic processes. For this study, advanced computational methodologies employed in the discovery and design process of potential agonists and/or antagonists of biological targets will …
Although there are inhibitors of 5-alpha-reductases activity in the drug market, the search for other compounds with the same attribute is still constant, in particular in the fields of study based on the potentiation of the inhibitory effect for these enzymes. The main focuses of these possible drugs refer to the anti-baldness treatments currently available for the genetic type of this p…
The quest for bioactive substances against targets on SARS-CoV-2 could aid potential antivirals for COVID-19. Among the strategies, receptor-binding domain (RBD) inhibitors on the viral Spike (S) could block its recognition by angiotensin-converting enzyme type II (ACE2) in cells. Such strategy in the onset of infection is relevant, because even though vaccines are under development and d…
Currently, Brazil is among the largest pesticide users in the world, reaching about 500,000 tons of pesticides per year. Consequently, this ends up impacting the health of the Brazilian population and the environment. Most pesticides end up acting mainly as endocrine disruptors, meaning that these substances can act as mimics or inhibitors of hormones. Thus, an endocrine disruptor can con…
The popularization of the term "neglected diseases" increased in the middle of the 1970s with a programme from the Rockefeller foundation. One of the diseases consider as neglected is Chagas' disease. The studies on this disease started after the discovery made by Carlos Ribeiro Justiniano das Chagas, whom identifies the etiological agent called Trypanossoma cruzi, but he doesn't have any…
The quantitative study of structure-activity relationship (QSAR) involves the construction of regression models that relate properties (descriptors) of a set containing chemical substances and biological activity data in relation to one or more biological targets in the body. Data sets manipulated by researchers using QSAR techniques are usually characterized by a small number of instance…
(Only some records are available in English at this moment)
| 3 / 3 | Completed research grants |
| 2 / 2 | Ongoing scholarships in Brazil |
| 10 / 8 | Completed scholarships in Brazil |
| 15 / 13 | All research grants and scholarships |
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FERREIRA, DAIANE D.; SOUSA, FERNANDA S.; COSTA-SILVA, THAIS A.; REIMAO, JULIANA Q.; TORRECILHAS, ANA C.; JOHNS, DEIDRE M.; SEAR, CLAIRE E.; HONORIO, KATHIA M.; LAGO, JOAO HENRIQUE G.; ANDERSON, EDWARD A.; et al. Dehydrodieugenol B derivatives as antiparasitic agents: Synthesis and biological activity against Trypanosoma cruzi. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, v. 176, p. 162-174, AUG 15 2019. (15/50075-2, 18/07885-1, 18/10279-6, 16/24524-7)
DE ANGELO, RAFAELA MOLINA; ALMEIDA, MICHELL DE OLIVEIRA; DE PAULA, HEBERTH; HONORIO, KATHIA MARIA. Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, v. 19, n. 12, DEC 2018. (16/24524-7, 18/06680-7, 16/18840-3)
DA SILVA, ALDINEIA P.; CHIARI, LAISE P. A.; GUIMARAES, AMANDA R.; HONORIO, KATHIA M.; DA SILVA, ALBERICO B. F.. Drug design of new 5-HT6R antagonists aided by artificial neural networks. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v. 104, MAY 2021. (16/24524-7, 13/07375-0, 17/10118-0)
ALVES, KRISNNA M. A.; BONFIM CARDOSO, FABIO JOSE; HONORIO, KATHIA M.; DE MOLFETTA, FABIO A.. Design of Inhibitors for Glyceraldehyde-3-phosphate Dehydrogenase (GAPDH) Enzyme of Leishmania mexicana. Medicinal Chemistry, v. 16, n. 6, p. 784-795, 2020. (16/24524-7)
CHIARI, LAISE P. A.; DA SILVA, ALDINEIA P.; DE OLIVEIRA, ALINE A.; LIPINSKI, CELIO F.; HONORIO, KATHIA M.; DA SILVA, ALBERICO B. F.. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, v. 1223, JAN 5 2021. (16/24524-7, 18/06680-7, 13/07375-0, 17/10118-0)
DO CARMO, ALINE LAGOEIRO; BETTANIN, FERNANDA; ALMEIDA, MICHELL ALMEIDA; PANTALEAO, SIMONE QUEIROZ; RODRIGUES, TIAGO; HOMEM-DE-MELLO, PAULA; HONORIO, KATHIA MARIA. Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein. FRONTIERS IN CHEMISTRY, v. 8, APR 3 2020. (06/00995-9, 16/07367-5, 17/23416-9, 16/24524-7, 17/10118-0)
ALMEIDA, MICHELL O.; FARIA, SERGIO H. D. M.; HONORIO, KATHIA M.. An electronic point of view on the inhibition of ALK-5 by bioactive candidates related to cancer. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 5, MAY 6 2020. (14/27189-9, 16/24524-7, 17/10118-0)
SERAFIM, MATEUS SA MAGALHAES; KRONENBERGER, THALES; OLIVEIRA, PATRICIA RUFINO; POSO, ANTTI; HONORIO, KATHIA MARIA; MOTA, BRUNO EDUARDO FERNANDES; MALTAROLLO, VINICIUS GONCALVES. The application of machine learning techniques to innovative antibacterial discovery and development. EXPERT OPINION ON DRUG DISCOVERY, v. 15, n. 10, JUN 2020. (16/24524-7, 17/10118-0)
FERNANDES, LUCIANA S.; HOMEM-DE-MELLO, PAULA; DE LIMA, ELIZABETE C.; HONORIO, KATHIA M.. Rational design of molecularly imprinted polymers for recognition of cannabinoids: A structure-property relationship study. EUROPEAN POLYMER JOURNAL, v. 71, p. 364-371, OCT 2015. (12/09954-4, 10/20762-4)
MALTAROLLO, VINICIUS G.; TOGASHI, MARIE; NASCIMENTO, ALESSANDRO S.; HONORIO, KATHIA M.. Structure-Based Virtual Screening and Discovery of New PPAR delta/gamma Dual Agonist and PPAR delta and gamma Agonists. PLoS One, v. 10, n. 3, MAR 13 2015. (11/18981-2, 14/06565-2)
DA SILVA, ALDINEIA P.; CHIARI, LAISE P. A.; GUIMARAES, AMANDA R.; HONORIO, KATHIA M.; DA SILVA, ALBERICO B. F.. New D2R partial agonist candidates: an in silico approach from statistical models, molecular docking, and ADME/Tox properties. STRUCTURAL CHEMISTRY, APR 2021. (16/24524-7, 13/07375-0)
DA SILVA, ALDINEIA P.; CHIARI, LAISE P. A.; GUIMARAES, AMANDA R.; HONORIO, KATHIA M.; DA SILVA, ALBERICO B. F.. New D2R partial agonist candidates: an in silico approach from statistical models, molecular docking, and ADME/Tox properties. STRUCTURAL CHEMISTRY, v. 32, n. 5, p. 2019-2033, OCT 2021. (16/24524-7, 13/07375-0)
ALMEIDA, MICHELL O.; BARROS, DAIANE A. S.; ARAUJO, SHEILA C.; FARIA, SERGIO H. D. M.; MALTAROLLO, VINICIUS G.; HONORIO, KATHIA M.. 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. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 184, p. 169-176, SEP 5 2017. (14/27189-9)
LIPINSKI, CELIO F.; MALTAROLLO, VINICIUS G.; OLIVEIRA, PATRICIA R.; DA SILVA, ALBERICO B. F.; HONORIO, KATHIA MARIA. Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery. FRONTIERS IN ROBOTICS AND AI, v. 6, NOV 5 2019. (16/24524-7, 16/18840-3)
PANTALEAO, SIMONE QUEIROZ; PHILOT, ERIC ALLISON; ALMEIDA, MICHELL DE OLIVEIRA; LIMA, ANGELICA NAKAGAWA; DE SAIRRE, MIRELA INES; SCOTT, ANA LIGIA; HONORIO, KATHIA MARIA. Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase-4 (DPP-4). CURRENT TOPICS IN MEDICINAL CHEMISTRY, v. 20, n. 3, p. 209-226, 2020. (17/10118-0, 16/24524-7, 15/20314-5, 16/18045-9)
DA SILVA, ALDINEIA P.; DE ANGELO, RAFAELA M.; DE PAULA, HEBERTH; HONORIO, KATHIA M.; DA SILVA, ALBERICO B. F.. Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives. STRUCTURAL CHEMISTRY, v. 31, n. 4, MAR 2020. (18/06680-7, 13/07375-0)
ARAUJO, SHEILA C.; MALTAROLLO, VINICIUS G.; ALMEIDA, MICHELL O.; FERREIRA, LEONARDO L. G.; ANDRICOPULO, ADRIANO D.; HONORIO, KATHIA M.. Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors. Molecules, v. 25, n. 2, JAN 2 2020. (16/24524-7, 13/07600-3, 17/10118-0)
ARAUJO, SHEILA C.; SOUSA, FERNANDA S.; COSTA-SILVA, THAIS A.; TEMPONE, ANDRE G.; LAGO, JOAO HENRIQUE G.; HONORIO, KATHIA M.. Discovery of New Hits as Antitrypanosomal Agents by In Silico and In Vitro Assays Using Neolignan-Inspired Natural Products from Nectandra leucantha. Molecules, v. 26, n. 14, JUL 2021. (18/07885-1, 21/04464-8, 16/24524-7, 21/02789-7)
SANTOS, GENISSON R.; CHIARI, LAISE P. A.; DA SILVA, ALDINEIA P.; LIPINSKI, CELIO F.; OLIVEIRA, ALINE A.; HONORIO, KATHIA M.; DE SOUSA, ALEXSANDRO GAMA; DA SILVA, ALBERICO B. F.. A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents. Journal of Molecular Modeling, v. 27, n. 10, OCT 2021. (17/10118-0, 18/06680-7, 13/07375-0, 16/24524-7)