Kathia Maria Honorio

Dados pessoais

Lattes
Grupos de Pesquisa
Genealogia Acadêmica

Nacionalidade: Brasileira
Grande área de atuação: Ciências Exatas e da Terra
Área de atuação: Química

Publicações

Total: 452

Área temática ASJC

Percentual das publicações classificadas

HS Ciências da Saúde
LS Ciências da Vida
MU Multidisciplinar
PS Ciências Físicas
SH Ciências Sociais e Humanidades

Categoria ASJC

Categorias ASJC mais frequentes

Nome	Vínculo	Grande área de atuação	Área de atuação
Nome	Vínculo	Grande área de atuação	Área de atuação
Agnaldo ARROIO		Ciências Humanas	Educação
Albérico Borges Ferreira Da SILVA		Ciências Exatas e da Terra	Química
Claudio Nahum ALVES		Ciências Exatas e da Terra	Química
Éder Tadeu Gomes CAVALHEIRO		Ciências Exatas e da Terra	Química
Emmanuela Ferreira De LIMA		Ciências Exatas e da Terra	Química
Karen Cacilda WEBER		Ciências Exatas e da Terra	Química
Lourivaldo Da Silva SANTOS		Ciências Agrárias	Recursos Florestais e Engenharia Florestal
Maria Cristina Motta De TOLEDO		Ciências Exatas e da Terra	Geociências
Maria Elena Infante MALACHIAS		Ciências Humanas	Educação
Maria Raimunda Chagas SILVA		Ciências Exatas e da Terra	Química
Paula Homem De MELLO		Ciências Exatas e da Terra	Química
Paulo Rogerio Miranda CORREIA		Ciências Humanas	Educação
Raphael Salles Ferreira SILVA		Ciências Exatas e da Terra	Química
Rosely Aparecida Liguori IMBERNON		Ciências Exatas e da Terra	Geociências
Vani Xavier De Oliveira JUNIOR		Ciências Biológicas	Bioquímica

Figura 1

Número de publicações por ano e por tipo

Todas as publicações do perfil

Figura 2

Categorias ASJC mais frequentes por ano

A cor dos pontos identifica a categoria predominante

Figura 3

Mapa de calor das categorias ASJC por ano

Frequências absolutas; cores mais escuras indicam mais publicações. Todas as categorias ASJC e anos disponíveis, sem aplicar os filtros da página.

Escala: 0 → 11

Mapa de calor das categorias ASJC por ano
Categoria ASJC	1997	1998	1999	2000	2001	2002	2003	2004	2005	2006	2007	2008	2009	2010	2011	2012	2013	2014	2015	2016	2017	2018	2019	2020	2021	2022	2023	2024	2025	2026
3002 · Drug Discovery	0	0	0	0	0	0	0	0	0	3	2	4	1	4	1	8	2	1	3	3	3	5	7	3	8	3	5	7	6	4
1303 · Biochemistry	0	0	1	0	0	3	0	3	3	2	3	1	3	11	7	4	6	2	1	3	2	4	1	4	2	2	0	3	1	1
1606 · Physical and Theoretical Chemistry	0	0	2	0	3	0	8	4	7	1	1	5	3	1	6	3	2	0	2	0	1	3	2	0	0	0	1	0	2	0
1605 · Organic Chemistry	1	0	1	1	1	3	7	5	3	0	2	1	3	1	6	1	1	1	1	0	3	0	0	0	1	0	1	0	0	0
1601 · Chemistry (miscellaneous)	3	1	0	0	0	0	2	5	3	1	1	1	2	2	1	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0
1603 · Electrochemistry	0	0	0	0	0	1	0	2	2	3	0	0	2	0	0	1	0	1	0	0	0	0	0	2	1	1	2	1	0	0
1301 · Biochemistry; Genetics and Molecular Biology (miscellaneous)	0	0	0	0	0	0	0	1	2	0	1	0	1	2	1	1	2	0	0	0	1	0	0	1	2	1	0	2	0	0
3304 · Education	0	0	0	0	0	0	2	1	0	1	1	5	2	1	2	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
1312 · Molecular Biology	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	2	0	0	0	0	2	1	0	1	0	1	3	2	1
1305 · Biotechnology	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	2	0	0	3	2	1
3004 · Pharmacology	0	0	0	0	0	0	1	1	1	1	1	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	1
1602 · Analytical Chemistry	0	0	0	0	0	0	2	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	2	0
1702 · Artificial Intelligence	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	1	0	0	0	3	0
1311 · Genetics	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0
3003 · Pharmaceutical Science	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0
1306 · Cancer Research	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0
1315 · Structural Biology	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1
1607 · Spectroscopy	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0
1706 · Computer Science Applications	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0
2405 · Parasitology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2
2736 · Pharmacology (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	1	0	0	0
3001 · Pharmacology; Toxicology and Pharmaceutics (miscellaneous)	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
1508 · Process Chemistry and Technology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1
1604 · Inorganic Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2507 · Polymers and Plastics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0
2712 · Endocrinology; Diabetes and Metabolism	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
2716 · Genetics (clinical)	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2801 · Neuroscience (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
3005 · Toxicology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0
1101 · Agricultural and Biological Sciences (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1103 · Animal Science and Zoology	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1106 · Food Science	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
1110 · Plant Science	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1308 · Clinical Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1310 · Endocrinology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
1503 · Catalysis	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
1504 · Chemical Health and Safety	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1906 · Geochemistry and Petrology	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2304 · Environmental Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
2308 · Management; Monitoring; Policy and Law	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2404 · Microbiology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
2501 · Materials Science (miscellaneous)	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2508 · Surfaces; Coatings and Films	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
2701 · Medicine (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
2705 · Cardiology and Cardiovascular Medicine	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2737 · Physiology (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2741 · Radiology; Nuclear Medicine and Imaging	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3306 · Health (social science)	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

Ano	Tipo	Registro	Área temática e categoria ASJC
	Tipo de Publicação	Registro	Área temática e categoria ASJC
2022	Artigo em periódico	Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review Simone Queiroz PANTALEÃO; Philipe O FERNANDES; José Eduardo GONÇALVES; Maltarollo Vinícius G; Kathia Maria HONORIO ChemMedChem DOI 10.1002/cmdc.202100542 ISSN 1860-7179	LS Drug Discovery
2022	Artigo em periódico	Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors Pantaleão Simone QUEIROZ; Philot Eric ALLISON; De Paula HEBERTH; Inês De Sairre MIRELA; Lima Angelica NAKAGAWA et al BIOCHIMIE DOI 10.1016/j.biochi.2021.12.007 ISSN 0300-9084	LS Biochemistry
2022	Artigo em periódico	Electrochemistry Applied to the Evaluation of the Interaction between Coumarins and the Copper Metal Ion: An Experimental Study with a DFT-Based Analysis Eliana M A VALLE; Lucia CODOGNOTO; Fernanda BETTANIN; Maltarollo Vinicius G; Tiago Luiz FERREIRA et al JOURNAL OF THE ELECTROCHEMICAL SOCIETY DOI 10.1149/1945-7111/ac554b ISSN 0013-4651	PS Electrochemistry
2022	Artigo em periódico	Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis Bilyk OKSANA; Oliveira Gabriel S; De Angelo Rafaela M; Almeida Michell O; Kathia Maria HONORIO et al Journal of the American Chemical Society DOI 10.1021/jacs.2c03313 ISSN 1520-5126	LS Biochemistry
2022	Artigo em periódico	Designing drugs when there is low data availability: One-shot learning and other approaches to face the issues of a long-term concern Gabriel C VERÍSSIMO; Mateus Sá M SERAFIM; Thales KRONENBERGER; Rafaela S FERREIRA; Kathia Maria HONORIO et al Expert Opinion on Drug Discovery DOI 10.1080/17460441.2022.2114451 ISSN 1746-0441	LS Drug Discovery
2021	Trabalho em evento	Planning of bioactive molecules against SARS-CoV-2: employing HQSAR to ligand-based studies and biological potential against the main protease (Mpro) Mateus Sá M SERAFIM; Simone Queiroz PANTALEÃO; Kathia Maria HONORIO; Bruno Eduardo Fernandes MOTA; Jonatas Santos ABRAHAO et al XXXII Congresso Brasileiro de Virologia	LS Drug Discovery
2021	Trabalho em evento	VIRTUAL SCREENING AND IN VITRO ASSAYS OF LIGANDS WITH ACTIVITY AGAINST DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME Simone Queiroz PANTALEÃO; Philot Eric ALLISON; Heberth De PAULA; Mirela Inês De SAIRRE; Angélica Nakagawa LIMA et al 20th IUPAB Congress; 50th Annual Meeting of SBBq; 45th Annual SBBf Meeting and 13th Annual Congress of SBBN	LS Drug Discovery
2021	Trabalho em evento	Comparisons of Compound Sets on Sites of Multiple N501/N501Y SARS-CoV-2 RBDs Via Scoring Functions Samanta Omae CAMALHONTE; Camila Fonseca Amorim Da SILVA; Michell De Oliveira ALMEIDA; Sheila Cruz ARAUJO; Kathia Maria HONORIO 29o Simpósio Internacional de Iniciação Científica e Tecnológica da USP	LS Molecular Biology
2021	Trabalho em evento	Use of Chemoinformatics for Planning Potential Inhibitors of Targets Related to the SARS-CoV-2 Virus Erica De Sousa CONRADO; Sheila Cruz ARAUJO; Kathia Maria HONORIO 29o Simpósio Internacional de Iniciação Científica e Tecnológica da USP	LS Biotechnology
2021	Artigo em periódico	Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks Chiari Laise P A; Da Silva Aldineia P; De Oliveira Aline A; Lipinski Célio F; Kathia Maria HONORIO et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2020.129156 ISSN 0022-2860	LS Drug Discovery
2021	Artigo em periódico	Study of the CuII Affinity by Three Chelating Agents of Biological Interest: TPEN; TRIEN and Et2DTC Valle ELIANA; Maltarollo VINICIUS; Princhak THIAGO; Kathia Maria HONORIO; Cerchiaro GISELLE JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY DOI 10.21577/0103-5053.20200225 ISSN 0103-5053	PS Organic Chemistry
2021	Artigo em periódico	Drug Design of new 5-HT6R Antagonists aided by Artificial Neural Networks Da Silva Aldineia P; Chiari Laise P A; Guimaraes Amanda R; Kathia Maria HONORIO; Da Silva Albérico B F JOURNAL OF MOLECULAR GRAPHICS & MODELLING DOI 10.1016/j.jmgm.2021.107844 ISSN 1093-3263	LS Drug Discovery
2021	Artigo em periódico	Evaluating Deep Learning models for predicting ALK-5 inhibition Espinoza Gabriel Z; Angelo Rafaela M; Oliveira Patricia R; Kathia Maria HONORIO PLoS One DOI 10.1371/journal.pone.0246126 ISSN 1932-6203	PS Artificial Intelligence
2021	Artigo em periódico	In silico Studies on the Interaction Between Bioactive Ligands and DPPIV: Insights on Potential Candidates for the Treatment of type 2 Diabetes Mellitus Michelle Cristiane Melo Reis MARTINS; Simone Queiroz PANTALEÃO; Michell De Oliveira ALMEIDA; Karen Cacilda WEBER; Kathia Maria HONORIO Medicinal Chemistry ISSN 1573-4064	LS Biochemistry
2021	Artigo em periódico	Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates Serafim Mateus S M; Gertrudes Jadson C; Costa Débora M A; Oliveira Patricia R; Maltarollo Vinicius G et al BIOSCIENCE REPORTS DOI 10.1042/bsr20202616 ISSN 1573-4935	LS Drug Discovery
2021	Artigo em periódico	New D2R partial agonist candidates: an in silico approach from statistical models; molecular docking; and ADME/Tox properties Da Silva Aldineia P; Chiari Laise P A; Guimarães Amanda R; Kathia Maria HONORIO; Da Silva Albérico B F STRUCTURAL CHEMISTRY (ONLINE) DOI 10.1007/s11224-021-01742-w ISSN 1572-9001	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2021	Artigo em periódico	Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade Mateus Sá M SERAFIM; Valtair Severino Dos Santos JÚNIOR; Jadson Castro GERTRUDES; Maltarollo Vinícius G; Kathia Maria HONORIO Expert Opinion on Drug Discovery DOI 10.1080/17460441.2021.1918098 ISSN 1746-0441	LS Drug Discovery
2021	Artigo em periódico	Density functional theory studies of oxygen reduction reaction for hydrogen peroxide generation on Graphene-Based catalysts Lanna E B LUCCHETTI; Michell De Oliveira ALMEIDA; James M De ALMEIDA; Pedro A S AUTRETO; Kathia Maria HONORIO et al JOURNAL OF ELECTROANALYTICAL CHEMISTRY DOI 10.1016/j.jelechem.2021.115429 ISSN 1572-6657	PS Electrochemistry
2021	Artigo em periódico	Flavonoid derivatives targeting BCR-ABL kinase: Semisynthesis; Molecular dynamic simulations and Enzymatic inhibition. Valdemar Lacerda JÚNIOR; Carla SANTANA; Heberth De PAULA; Pedro MORAIS; Sheila Cruz ARAUJO et al CURRENT TOPICS IN MEDICINAL CHEMISTRY DOI 10.2174/1568026621666210705170047 ISSN 1568-0266	LS Biochemistry
2021	Artigo em periódico	Discovery of New Hits as Antitrypanosomal Agents by In Silico and In Vitro Assays Using Neolignan-Inspired Natural Products from Nectandra leucantha Sheila Cruz ARAUJO; Fernanda S SOUSA; Thais A Costa SILVA; Andre G TEMPONE; João Henrique Ghilardi LAGO et al MOLECULES DOI 10.3390/molecules26144116 ISSN 1420-3049	LS Drug Discovery
2021	Artigo em periódico	Topomer-CoMFA proposed as a tool to construct dual EGFR/HER-2 models Heberth De PAULA; Rafaela Molina ANGELO; Kathia Maria HONORIO JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-021-04852-8 ISSN 1610-2940	LS Biotechnology
2021	Artigo em periódico	A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents Santos Genisson R; Chiari Laise P A; Da Silva Aldineia P; Lipinski Célio F; Oliveira Aline A et al JOURNAL OF MOLECULAR MODELING (ONLINE) DOI 10.1007/s00894-021-04906-x ISSN 0948-5023	LS Drug Discovery
2021	Artigo em periódico	A study of possible substitutes for the endocrine disruptor DEHP in two hormone receptors Almeida Michell O; Lanza Marcos R V; Kathia Maria HONORIO Journal of Biomolecular Structure and Dynamics DOI 10.1080/07391102.2021.1971566 ISSN 1538-0254	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2020	Trabalho em evento	OntoQSAR: an Ontology for Interpreting Chemical and Biological Data in Quantitative Structure-Activity Relationship Studies Angelo Rafaela M; Io Andreia K; Almeida Matheus P; Silveira Rafael G; Oliveira Patricia R et al 2020 IEEE 14th International Conference on Semantic Computing (ICSC) DOI 10.1109/ICSC.2020.00042 ISBN 9781728163321	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2020	Trabalho em evento	ESTUDO DE ACOPLAMENTO MOLECULAR DO INTERFERENTE ENDÓCRINO GLIFOSATO EM RECEPTORES HORMONAIS Milton Alves Da Silva NETO; Erica De Sousa CONRADO; Kathia Maria HONORIO 28º Simpósio Internacional de Iniciação Científica e Tecnológica da USP - SIICUSP	LS Biochemistry

2022 Artigo em periódico

LS Drug Discovery

Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review

ChemMedChem

Simone Queiroz PANTALEÃO; Philipe O FERNANDES; José Eduardo GONÇALVES; Maltarollo Vinícius G; Kathia Maria HONORIO

DOI ISSN 1860-7179

2022 Artigo em periódico

LS Biochemistry

Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors

BIOCHIMIE

Pantaleão Simone QUEIROZ; Philot Eric ALLISON; De Paula HEBERTH; Inês De Sairre MIRELA; Lima Angelica NAKAGAWA et al

DOI ISSN 0300-9084

2022 Artigo em periódico

PS Electrochemistry

Electrochemistry Applied to the Evaluation of the Interaction between Coumarins and the Copper Metal Ion: An Experimental Study with a DFT-Based Analysis

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Eliana M A VALLE; Lucia CODOGNOTO; Fernanda BETTANIN; Maltarollo Vinicius G; Tiago Luiz FERREIRA et al

DOI ISSN 0013-4651

2022 Artigo em periódico

LS Biochemistry

Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis

Journal of the American Chemical Society

Bilyk OKSANA; Oliveira Gabriel S; De Angelo Rafaela M; Almeida Michell O; Kathia Maria HONORIO et al

DOI ISSN 1520-5126

2022 Artigo em periódico

LS Drug Discovery

Designing drugs when there is low data availability: One-shot learning and other approaches to face the issues of a long-term concern

Expert Opinion on Drug Discovery

Gabriel C VERÍSSIMO; Mateus Sá M SERAFIM; Thales KRONENBERGER; Rafaela S FERREIRA; Kathia Maria HONORIO et al

DOI ISSN 1746-0441

2021 Trabalho em evento

LS Drug Discovery

Planning of bioactive molecules against SARS-CoV-2: employing HQSAR to ligand-based studies and biological potential against the main protease (Mpro)

XXXII Congresso Brasileiro de Virologia

Mateus Sá M SERAFIM; Simone Queiroz PANTALEÃO; Kathia Maria HONORIO; Bruno Eduardo Fernandes MOTA; Jonatas Santos ABRAHAO et al

2021 Trabalho em evento

LS Drug Discovery

VIRTUAL SCREENING AND IN VITRO ASSAYS OF LIGANDS WITH ACTIVITY AGAINST DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME

20th IUPAB Congress; 50th Annual Meeting of SBBq; 45th Annual SBBf Meeting and 13th Annual Congress of SBBN

Simone Queiroz PANTALEÃO; Philot Eric ALLISON; Heberth De PAULA; Mirela Inês De SAIRRE; Angélica Nakagawa LIMA et al

2021 Trabalho em evento

LS Molecular Biology

Comparisons of Compound Sets on Sites of Multiple N501/N501Y SARS-CoV-2 RBDs Via Scoring Functions

29o Simpósio Internacional de Iniciação Científica e Tecnológica da USP

Samanta Omae CAMALHONTE; Camila Fonseca Amorim Da SILVA; Michell De Oliveira ALMEIDA; Sheila Cruz ARAUJO; Kathia Maria HONORIO

2021 Trabalho em evento

LS Biotechnology

Use of Chemoinformatics for Planning Potential Inhibitors of Targets Related to the SARS-CoV-2 Virus

29o Simpósio Internacional de Iniciação Científica e Tecnológica da USP

Erica De Sousa CONRADO; Sheila Cruz ARAUJO; Kathia Maria HONORIO

2021 Artigo em periódico

LS Drug Discovery

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

Chiari Laise P A; Da Silva Aldineia P; De Oliveira Aline A; Lipinski Célio F; Kathia Maria HONORIO et al

DOI ISSN 0022-2860

2021 Artigo em periódico

PS Organic Chemistry

Study of the CuII Affinity by Three Chelating Agents of Biological Interest: TPEN; TRIEN and Et2DTC

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Valle ELIANA; Maltarollo VINICIUS; Princhak THIAGO; Kathia Maria HONORIO; Cerchiaro GISELLE

DOI ISSN 0103-5053

2021 Artigo em periódico

LS Drug Discovery

Drug Design of new 5-HT6R Antagonists aided by Artificial Neural Networks

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Da Silva Aldineia P; Chiari Laise P A; Guimaraes Amanda R; Kathia Maria HONORIO; Da Silva Albérico B F

DOI ISSN 1093-3263

2021 Artigo em periódico

PS Artificial Intelligence

Evaluating Deep Learning models for predicting ALK-5 inhibition

PLoS One

Espinoza Gabriel Z; Angelo Rafaela M; Oliveira Patricia R; Kathia Maria HONORIO

DOI ISSN 1932-6203

2021 Artigo em periódico

LS Biochemistry

In silico Studies on the Interaction Between Bioactive Ligands and DPPIV: Insights on Potential Candidates for the Treatment of type 2 Diabetes Mellitus

Medicinal Chemistry

Michelle Cristiane Melo Reis MARTINS; Simone Queiroz PANTALEÃO; Michell De Oliveira ALMEIDA; Karen Cacilda WEBER; Kathia Maria HONORIO

ISSN 1573-4064

2021 Artigo em periódico

LS Drug Discovery

Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates

BIOSCIENCE REPORTS

Serafim Mateus S M; Gertrudes Jadson C; Costa Débora M A; Oliveira Patricia R; Maltarollo Vinicius G et al

DOI ISSN 1573-4935

2021 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

New D2R partial agonist candidates: an in silico approach from statistical models; molecular docking; and ADME/Tox properties

STRUCTURAL CHEMISTRY (ONLINE)

Da Silva Aldineia P; Chiari Laise P A; Guimarães Amanda R; Kathia Maria HONORIO; Da Silva Albérico B F

DOI ISSN 1572-9001

2021 Artigo em periódico

LS Drug Discovery

Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade

Expert Opinion on Drug Discovery

Mateus Sá M SERAFIM; Valtair Severino Dos Santos JÚNIOR; Jadson Castro GERTRUDES; Maltarollo Vinícius G; Kathia Maria HONORIO

DOI ISSN 1746-0441

2021 Artigo em periódico

PS Electrochemistry

Density functional theory studies of oxygen reduction reaction for hydrogen peroxide generation on Graphene-Based catalysts

JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Lanna E B LUCCHETTI; Michell De Oliveira ALMEIDA; James M De ALMEIDA; Pedro A S AUTRETO; Kathia Maria HONORIO et al

DOI ISSN 1572-6657

2021 Artigo em periódico

LS Biochemistry

Flavonoid derivatives targeting BCR-ABL kinase: Semisynthesis; Molecular dynamic simulations and Enzymatic inhibition.

CURRENT TOPICS IN MEDICINAL CHEMISTRY

Valdemar Lacerda JÚNIOR; Carla SANTANA; Heberth De PAULA; Pedro MORAIS; Sheila Cruz ARAUJO et al

DOI ISSN 1568-0266

2021 Artigo em periódico

LS Drug Discovery

Discovery of New Hits as Antitrypanosomal Agents by In Silico and In Vitro Assays Using Neolignan-Inspired Natural Products from Nectandra leucantha

MOLECULES

Sheila Cruz ARAUJO; Fernanda S SOUSA; Thais A Costa SILVA; Andre G TEMPONE; João Henrique Ghilardi LAGO et al

DOI ISSN 1420-3049

2021 Artigo em periódico

LS Biotechnology

Topomer-CoMFA proposed as a tool to construct dual EGFR/HER-2 models

JOURNAL OF MOLECULAR MODELING

Heberth De PAULA; Rafaela Molina ANGELO; Kathia Maria HONORIO

DOI ISSN 1610-2940

2021 Artigo em periódico

LS Drug Discovery

A partial least squares and artificial neural network study for a series of arylpiperazines as antidepressant agents

JOURNAL OF MOLECULAR MODELING (ONLINE)

Santos Genisson R; Chiari Laise P A; Da Silva Aldineia P; Lipinski Célio F; Oliveira Aline A et al

DOI ISSN 0948-5023

2021 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

A study of possible substitutes for the endocrine disruptor DEHP in two hormone receptors

Journal of Biomolecular Structure and Dynamics

Almeida Michell O; Lanza Marcos R V; Kathia Maria HONORIO

DOI ISSN 1538-0254

2020 Trabalho em evento

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

OntoQSAR: an Ontology for Interpreting Chemical and Biological Data in Quantitative Structure-Activity Relationship Studies

2020 IEEE 14th International Conference on Semantic Computing (ICSC)

Angelo Rafaela M; Io Andreia K; Almeida Matheus P; Silveira Rafael G; Oliveira Patricia R et al

DOI ISBN 9781728163321

2020 Trabalho em evento

LS Biochemistry

ESTUDO DE ACOPLAMENTO MOLECULAR DO INTERFERENTE ENDÓCRINO GLIFOSATO EM RECEPTORES HORMONAIS

28º Simpósio Internacional de Iniciação Científica e Tecnológica da USP - SIICUSP

Milton Alves Da Silva NETO; Erica De Sousa CONRADO; Kathia Maria HONORIO