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
2018	Trabalho em evento	Estudo de Modelagem Molecular para Ligantes Bioativos frente a Leishmaniose Caroline Lopes Dos SANTOS; Rafaela Molina ANGELO; Kathia Maria HONORIO 26º Simpósio Internacional de Iniciação Científica e Tecnológica da USP ? SIICUSP	LS Molecular Biology
2018	Trabalho em evento	Application of ontologies to enhance the construction of QSAR models against the target ALK-5 Rafaela Molina ANGELO; Kathia Maria HONORIO XLVII Reunião Anual da Simpósio Brasileiro de Bioquímica e Biologia Molecular (SBBq)	LS Biochemistry
2018	Trabalho em evento	Topological study of interactions between some inhibitors and ALK-5 using QTAIM methodology Michell De Oliveira ALMEIDA; Sergio H D M FARIA; Kathia Maria HONORIO 41ª Reunião Anual da Sociedade Brasileira de Química (SBQ)	PS Physical and Theoretical Chemistry
2018	Artigo em periódico	Advances and Challenges in Drug Design of PPAR? Ligands Maltarollo Vinícius G; Thales KRONENBERGER; Björn WINDSHÜGEL; Carsten WRENGER; Gustavo Henrique Goulart TROSSINI et al CURRENT DRUG TARGETS DOI 10.2174/1389450118666170414113159 ISSN 1389-4501	LS Drug Discovery
2018	Artigo em periódico	Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents Michell De Oliveira ALMEIDA; Clauber H S COSTA; Guelber C GOMES; Jeronimo LAMEIRA; Claudio Nahum ALVES et al JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS DOI 10.1080/07391102.2017.1404938 ISSN 0739-1102	LS Molecular Biology
2018	Artigo em periódico	On the relationship of anthranilic derivatives structure and the FXR (Farsenoid X receptor) agonist activity Kronenberger THALES; Windshügel BJÖRN; Wrenger CARSTEN; Kathia Maria HONORIO; Maltarollo Vinicius G JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS DOI 10.1080/07391102.2017.1417161 ISSN 0739-1102	LS Biochemistry
2018	Artigo em periódico	Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges Da Silva Simoes RODOLFO; Maltarollo Vinícius G; Patrícia Rufino OLIVEIRA; Kathia Maria HONORIO Frontiers in Pharmacology DOI 10.3389/fphar.2018.00074 ISSN 1663-9812	LS Drug Discovery
2018	Artigo em periódico	Time dependent-density functional theory (TD-DFT) and experimental studies of UV-Visible spectra and cyclic voltammetry for Cu(II) complex with Et 2 DTC Valle Eliana Maira A; Maltarollo Vinicius GONÇALVES; Almeida Michell O; Kathia Maria HONORIO; Dos Santos Mauro COELHO et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2017.12.097 ISSN 0022-2860	PS Physical and Theoretical Chemistry
2018	Artigo em periódico	Structural Dynamics of DPP-4 and its influence on the projection of bioactive ligands Simone Queiroz PANTALEÃO; Philot Eric ALLISON; Pedro Túlio De Resende LARA; Angélica Nakagawa LIMA; David PERAHIA et al MOLECULES DOI 10.3390/molecules23020490 ISSN 1420-3049	LS Structural Biology
2018	Artigo em periódico	A molecular modeling study of combretastatin-like chalcones as anticancer agents using PLS; ANN and consensus models Lipinski Célio FERNANDO; Oliveira Aline ALVES; Kathia Maria HONORIO; Oliveira Patrícia RUFINO; Da Silva Albérico Borges FERREIRA STRUCTURAL CHEMISTRY DOI 10.1007/s11224-017-1072-2 ISSN 1040-0400	LS Biochemistry
2018	Artigo em periódico	UDP-glucuronosyltransferases: Structure; Function and Drug Design Studies Erica Candido Costa MANO; Ana Ligia SCOTT; Kathia Maria HONORIO CURRENT MEDICINAL CHEMISTRY DOI 10.2174/0929867325666180226111311 ISSN 0929-8673	LS Drug Discovery
2018	Artigo em periódico	Molecular description of α-keto-based inhibitors of cruzain with activity against Chagas disease combining 3D-QSAR studies and molecular dynamics Renan P P VALENTE; Ádria P B SARAIVA; Jéssica O ARAÚJO; Rutelene N B SOUZA; Clauber H S COSTA et al Chemical Biology & Drug Design ISSN 1747-0277	LS Drug Discovery
2018	Artigo em periódico	Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques De Angelo RAFAELA; Almeida MICHELL; De Paula HEBERTH; Kathia Maria HONORIO INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES DOI 10.3390/ijms19123728 ISSN 1422-0067	LS Drug Discovery
2017	Trabalho em evento	STRUCTURAL ANALYSIS OF THE BIOLOGICAL TARGET DIPEPTIDYL PEPTIDASE-4 (DPP-4) RELATED TO TYPE II DIABETES MELLITUS TREATMENT Simone Queiroz PANTALEÃO; Angélica Nakagawa LIMA; Philot Eric ALLISON; Luis Paulo Barbour SCOTT; Kathia Maria HONORIO 46th Annual Meeting of the Brazilian Society for Biochemistry and Molecular Biology (SBBq)	LS Biochemistry
2017	Trabalho em evento	HOLOGRAM QSAR OF CHALCONE SEMISYNTHETIC DERIVATIVES AS CANDIDATES TO TREAT CHAGAS' DISEASE Sheila Cruz ARAUJO; Kaio De Souza GOMES; João Henrique Ghilardi LAGO; Kathia Maria HONORIO 46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química; and IUPAC 49th General Assembly	PS Organic Chemistry
2017	Trabalho em evento	ANTHRANILIC ACID DERIVATIVES AS NUCLEAR RECEPTOR MODULATORS: OPTIMIZATION OF FXR LIGANDS BY LIGAND BASED DRUG-DESIGN Thales KRONENBERGER; Maltarollo Vinícius G; Björn WINDSHÜGEL; Kathia Maria HONORIO 46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly	LS Drug Discovery
2017	Trabalho em evento	ANALYSIS OF ELECTRONIC AND STEREOCHEMICAL PROPERTIES FOR SIGMA-1R RECEPTOR INHIBITORS Gabriel Almeida Bispo Dos SANTOS; Rafaela Molina ANGELO; Michell De Oliveira ALMEIDA; Aline Alves OLIVEIRA; Kathia Maria HONORIO 46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly	PS Organic Chemistry
2017	Trabalho em evento	CALCULATION OF PHARMACOKINETIC PROPERTIES FOR BIOACTIVE LIGANDS OF DPP-4 AND FAPΑ Michelle Cristiane Melo Reis MARTINS; Simone Queiroz PANTALEÃO; Sheila Cruz ARAUJO; Kathia Maria HONORIO 46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly	LS Drug Discovery
2017	Trabalho em evento	HQSAR STUDIES FOR HER-2 INHIBITORS AS CANDIDATES FOR CANCER TREATMENT Rafaela Molina ANGELO; Michell De Oliveira ALMEIDA; Sheila Cruz ARAUJO; Kathia Maria HONORIO 46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly	PS Organic Chemistry
2017	Artigo em periódico	Quantum-chemistry descriptors for photosensitizers based on macrocycles Fernanda BETTANIN; Felipe C T ANTONIO; Kathia Maria HONORIO; Paula Homem De MELLO Chemical Biology & Drug Design (Print) DOI 10.1111/cbdd.12791 ISSN 1747-0277	PS Physical and Theoretical Chemistry
2017	Artigo em periódico	Studies of Staphylococcus aureus</i> FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses Kronenberger THALES; Asse Leonardo RANDER; Wrenger CARSTEN; Goulart Trossini Gustavo HENRIQUE; Kathia Maria HONORIO et al Future Medicinal Chemistry DOI 10.4155/fmc-2016-0179 ISSN 1756-8919	HS Pharmacology (medical)
2017	Artigo em periódico	MD Simulations and Multivariate Studies for Modeling the Anti-Leishmanial Activity of Peptides Guerra Mirian Elisa RODRIGUES; Fadel VALMIR; Maltarollo Vinícius GONÇALVES; Baldissera GISELE; Kathia Maria HONORIO et al Chemical Biology & Drug Design DOI 10.1111/cbdd.12970 ISSN 1747-0277	LS Biochemistry
2017	Artigo em periódico	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 Michell De Oliveira ALMEIDA; Daiane Aparecida Da Silva BARROS; Sheila Cruz ARAUJO; Sergio H D M FARIA; Maltarollo Vinicius G et al SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY DOI 10.1016/j.saa.2017.04.070 ISSN 1386-1425	PS Spectroscopy
2017	Artigo em periódico	The role of QSAR and virtual screening studies in type 2 diabetes drug discovery Simone Queiroz PANTALEÃO; Drielli G V FUJJI; Maltarollo Vinícius G; Danielle C SILVA; Gustavo Henrique Goulart TROSSINI et al Medicinal Chemistry DOI 10.2174/1573406413666170522152102 ISSN 1573-4064	HS Medicine (miscellaneous)
2017	Artigo em periódico	New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists Oliveira Aline A; Lipinski Célio F; Pereira Estevão B; Kathia Maria HONORIO; Oliveira Patrícia R et al JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-017-3444-3 ISSN 1610-2940	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

2018 Trabalho em evento

LS Molecular Biology

Estudo de Modelagem Molecular para Ligantes Bioativos frente a Leishmaniose

26º Simpósio Internacional de Iniciação Científica e Tecnológica da USP ? SIICUSP

Caroline Lopes Dos SANTOS; Rafaela Molina ANGELO; Kathia Maria HONORIO

2018 Trabalho em evento

LS Biochemistry

Application of ontologies to enhance the construction of QSAR models against the target ALK-5

XLVII Reunião Anual da Simpósio Brasileiro de Bioquímica e Biologia Molecular (SBBq)

Rafaela Molina ANGELO; Kathia Maria HONORIO

2018 Trabalho em evento

PS Physical and Theoretical Chemistry

Topological study of interactions between some inhibitors and ALK-5 using QTAIM methodology

41ª Reunião Anual da Sociedade Brasileira de Química (SBQ)

Michell De Oliveira ALMEIDA; Sergio H D M FARIA; Kathia Maria HONORIO

2018 Artigo em periódico

LS Drug Discovery

Advances and Challenges in Drug Design of PPAR? Ligands

CURRENT DRUG TARGETS

Maltarollo Vinícius G; Thales KRONENBERGER; Björn WINDSHÜGEL; Carsten WRENGER; Gustavo Henrique Goulart TROSSINI et al

DOI ISSN 1389-4501

2018 Artigo em periódico

LS Molecular Biology

Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Michell De Oliveira ALMEIDA; Clauber H S COSTA; Guelber C GOMES; Jeronimo LAMEIRA; Claudio Nahum ALVES et al

DOI ISSN 0739-1102

2018 Artigo em periódico

LS Biochemistry

On the relationship of anthranilic derivatives structure and the FXR (Farsenoid X receptor) agonist activity

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Kronenberger THALES; Windshügel BJÖRN; Wrenger CARSTEN; Kathia Maria HONORIO; Maltarollo Vinicius G

DOI ISSN 0739-1102

2018 Artigo em periódico

LS Drug Discovery

Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges

Frontiers in Pharmacology

Da Silva Simoes RODOLFO; Maltarollo Vinícius G; Patrícia Rufino OLIVEIRA; Kathia Maria HONORIO

DOI ISSN 1663-9812

2018 Artigo em periódico

PS Physical and Theoretical Chemistry

Time dependent-density functional theory (TD-DFT) and experimental studies of UV-Visible spectra and cyclic voltammetry for Cu(II) complex with Et 2 DTC

JOURNAL OF MOLECULAR STRUCTURE

Valle Eliana Maira A; Maltarollo Vinicius GONÇALVES; Almeida Michell O; Kathia Maria HONORIO; Dos Santos Mauro COELHO et al

DOI ISSN 0022-2860

2018 Artigo em periódico

LS Structural Biology

Structural Dynamics of DPP-4 and its influence on the projection of bioactive ligands

MOLECULES

Simone Queiroz PANTALEÃO; Philot Eric ALLISON; Pedro Túlio De Resende LARA; Angélica Nakagawa LIMA; David PERAHIA et al

DOI ISSN 1420-3049

2018 Artigo em periódico

LS Biochemistry

A molecular modeling study of combretastatin-like chalcones as anticancer agents using PLS; ANN and consensus models

STRUCTURAL CHEMISTRY

Lipinski Célio FERNANDO; Oliveira Aline ALVES; Kathia Maria HONORIO; Oliveira Patrícia RUFINO; Da Silva Albérico Borges FERREIRA

DOI ISSN 1040-0400

2018 Artigo em periódico

LS Drug Discovery

UDP-glucuronosyltransferases: Structure; Function and Drug Design Studies

CURRENT MEDICINAL CHEMISTRY

Erica Candido Costa MANO; Ana Ligia SCOTT; Kathia Maria HONORIO

DOI ISSN 0929-8673

2018 Artigo em periódico

LS Drug Discovery

Molecular description of α-keto-based inhibitors of cruzain with activity against Chagas disease combining 3D-QSAR studies and molecular dynamics

Chemical Biology & Drug Design

Renan P P VALENTE; Ádria P B SARAIVA; Jéssica O ARAÚJO; Rutelene N B SOUZA; Clauber H S COSTA et al

ISSN 1747-0277

2018 Artigo em periódico

LS Drug Discovery

Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

De Angelo RAFAELA; Almeida MICHELL; De Paula HEBERTH; Kathia Maria HONORIO

DOI ISSN 1422-0067

2017 Trabalho em evento

LS Biochemistry

STRUCTURAL ANALYSIS OF THE BIOLOGICAL TARGET DIPEPTIDYL PEPTIDASE-4 (DPP-4) RELATED TO TYPE II DIABETES MELLITUS TREATMENT

46th Annual Meeting of the Brazilian Society for Biochemistry and Molecular Biology (SBBq)

Simone Queiroz PANTALEÃO; Angélica Nakagawa LIMA; Philot Eric ALLISON; Luis Paulo Barbour SCOTT; Kathia Maria HONORIO

2017 Trabalho em evento

PS Organic Chemistry

HOLOGRAM QSAR OF CHALCONE SEMISYNTHETIC DERIVATIVES AS CANDIDATES TO TREAT CHAGAS' DISEASE

46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química; and IUPAC 49th General Assembly

Sheila Cruz ARAUJO; Kaio De Souza GOMES; João Henrique Ghilardi LAGO; Kathia Maria HONORIO

2017 Trabalho em evento

LS Drug Discovery

ANTHRANILIC ACID DERIVATIVES AS NUCLEAR RECEPTOR MODULATORS: OPTIMIZATION OF FXR LIGANDS BY LIGAND BASED DRUG-DESIGN

46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly

Thales KRONENBERGER; Maltarollo Vinícius G; Björn WINDSHÜGEL; Kathia Maria HONORIO

2017 Trabalho em evento

PS Organic Chemistry

ANALYSIS OF ELECTRONIC AND STEREOCHEMICAL PROPERTIES FOR SIGMA-1R RECEPTOR INHIBITORS

46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly

Gabriel Almeida Bispo Dos SANTOS; Rafaela Molina ANGELO; Michell De Oliveira ALMEIDA; Aline Alves OLIVEIRA; Kathia Maria HONORIO

2017 Trabalho em evento

LS Drug Discovery

CALCULATION OF PHARMACOKINETIC PROPERTIES FOR BIOACTIVE LIGANDS OF DPP-4 AND FAPΑ

46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly

Michelle Cristiane Melo Reis MARTINS; Simone Queiroz PANTALEÃO; Sheila Cruz ARAUJO; Kathia Maria HONORIO

2017 Trabalho em evento

PS Organic Chemistry

HQSAR STUDIES FOR HER-2 INHIBITORS AS CANDIDATES FOR CANCER TREATMENT

46th World Chemistry Congress; 40a Reunião Anual da Sociedade Brasileira de Química and IUPAC 49th General Assembly

Rafaela Molina ANGELO; Michell De Oliveira ALMEIDA; Sheila Cruz ARAUJO; Kathia Maria HONORIO

2017 Artigo em periódico

PS Physical and Theoretical Chemistry

Quantum-chemistry descriptors for photosensitizers based on macrocycles

Chemical Biology & Drug Design (Print)

Fernanda BETTANIN; Felipe C T ANTONIO; Kathia Maria HONORIO; Paula Homem De MELLO

DOI ISSN 1747-0277

2017 Artigo em periódico

HS Pharmacology (medical)

Studies of Staphylococcus aureus</i> FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses

Future Medicinal Chemistry

Kronenberger THALES; Asse Leonardo RANDER; Wrenger CARSTEN; Goulart Trossini Gustavo HENRIQUE; Kathia Maria HONORIO et al

DOI ISSN 1756-8919

2017 Artigo em periódico

LS Biochemistry

MD Simulations and Multivariate Studies for Modeling the Anti-Leishmanial Activity of Peptides

Chemical Biology & Drug Design

Guerra Mirian Elisa RODRIGUES; Fadel VALMIR; Maltarollo Vinícius GONÇALVES; Baldissera GISELE; Kathia Maria HONORIO et al

DOI ISSN 1747-0277

2017 Artigo em periódico

PS Spectroscopy

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

Michell De Oliveira ALMEIDA; Daiane Aparecida Da Silva BARROS; Sheila Cruz ARAUJO; Sergio H D M FARIA; Maltarollo Vinicius G et al

DOI ISSN 1386-1425

2017 Artigo em periódico

HS Medicine (miscellaneous)

The role of QSAR and virtual screening studies in type 2 diabetes drug discovery

Medicinal Chemistry

Simone Queiroz PANTALEÃO; Drielli G V FUJJI; Maltarollo Vinícius G; Danielle C SILVA; Gustavo Henrique Goulart TROSSINI et al

DOI ISSN 1573-4064

2017 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists

JOURNAL OF MOLECULAR MODELING

Oliveira Aline A; Lipinski Célio F; Pereira Estevão B; Kathia Maria HONORIO; Oliveira Patrícia R et al

DOI ISSN 1610-2940