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1

Use of machine learning approaches for novel drug discovery

Lima, Angélica Nakagawa, Philot, Eric Allison, Goulart Trossini, Gustavo Henrique, Barbour Scott, Luis Paulo, Maltarollo, Vinícius Gonçalves, Honorio, Kathia Maria

Journal:

Expert Opinion on Drug Discovery

Year:

2016

Language:

english

File:

PDF, 1012 KB

english, 2016

2

Synthesis, leishmanicidal activity, structural descriptors and structure–activity relationship of quinoline derivatives

Silva, Etyene JG, Bezerra-Souza, Adriana, Passero, Luiz FD, Laurenti, Márcia D, Ferreira, Gláucio M, Fujii, Drielli GV, Trossini, Gustavo HG, Raminelli, Cristiano

Journal:

Future Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 2.17 MB

english, 2018

3

Targeting the Plasmodium falciparum Plasmepsin V by ligand-based virtual screening

Meissner, Kamila Anna, Kronenberger, Thales, Maltarollo, Vinícius Gonçalves, Trossini, Gustavo Henrique Goulart, Wrenger, Carsten

Journal:

Chemical Biology & Drug Design

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

4

Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study

Ferraz, Witor Ribeiro, Gomes, Renan Augusto, S Novaes, Andre Luis, Goulart Trossini, Gustavo Henrique

Journal:

Future Medicinal Chemistry

Year:

2020

File:

PDF, 12.93 MB

2020

5

ChemInform Abstract: Enantioselective Arylations Catalyzed by Carbohydrate-Based Chiral Amino Alcohols.

Ana Dioneia Wouters, Gustavo H. G. Trossini, Helio A. Stefani, Diogo S. Luedtke

Journal:

Year:

2010

File:

PDF, 80 KB

2010

6

Enantioselective Arylations Catalyzed by Carbohydrate-Based Chiral Amino Alcohols

Ana Dionéia Wouters, Gustavo H. G. Trossini, Hélio A. Stefani, Diogo S. Lüdtke

Journal:

European Journal of Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 261 KB

english, 2010

7

Quantitative structure–activity relationships for a series of inhibitors of cruzain from Trypanosoma cruzi: Molecular modeling, CoMFA and CoMSIA studies

Gustavo H.G. Trossini, Rafael V.C. Guido, Glaucius Oliva, Elizabeth I. Ferreira, Adriano D. Andricopulo

Journal:

Journal of Molecular Graphics and Modelling

Year:

2009

Language:

english

File:

PDF, 511 KB

english, 2009

8

Host–guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling study

Renato Grillo, Nathalie F. S. de Melo, Daniele R. de Araújo, Gustavo H. G. Trossini, Elaine F. F. da Cunha, Teodorico de Castro Ramalho, Leonardo Fernandes Fraceto

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

2010

Language:

english

File:

PDF, 239 KB

english, 2010

9

Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: investigation of a new target in Trypanosoma cruzi

Trossini, Gustavo H. G., Malvezzi, Alberto, T.-do Amaral, Antonia, Rangel-Yagui, Carlota Oliveira, Izidoro, Mario A., Cezari, Maria Helena S., Juliano, Luiz, Chin, Chung Man, Menezes, Carla M. S., Fer

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 875 KB

english, 2010

10

Structure-activity relationships for a class of selective inhibitors of the major cysteine protease from Trypanosoma cruzi

Guido, Rafael V. C., Trossini, Gustavo H. G., Castilho, Marcelo S., Oliva, Glaucius, Ferreira, Elizabeth I., Andricopulo, Adriano D.

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 350 KB

english, 2008

11

Design, synthesis and biological evaluation of new aryl thiosemicarbazone as antichagasic candidates

Blau, Lorena, Menegon, Renato Farina, Trossini, Gustavo H.G., Molino, João Vitor Dutra, Vital, Drielli Gomes, Cicarelli, Regina Maria Barretto, Passerini, Gabriela Duó, Bosquesi, Priscila Longhin, Chi

Journal:

European Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 842 KB

english, 2013

12

Nitric Oxide: State of the Art in Drug Design

Serafim, R.A.M., Primi, M.C., Trossini, G.H.G., Ferreira, E.I.

Journal:

Current Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 600 KB

english, 2012

13

Synthesis ofC-glycosyl-bis-1,2,3-triazole derivatives from 3,4,6-tri-\(\varvec{O}\)-acetyl-D-glucal

Shamim, Anwar, Souza, Frederico B., Trossini, Gustavo H. G., Gatti, Fernando M., Stefani, Hélio A.

Journal:

Molecular Diversity

Year:

2015

Language:

english

File:

PDF, 829 KB

english, 2015

14

Convergent QSAR studies on a series of NK 3 receptor antagonists for schizophrenia treatment

Primi, Marina Candido, Maltarollo, Vinícius Gonçalves, Magalhães, Juliana Gallottini, Malta de Sá, Matheus, Rangel-Yagui, Carlota Oliveira, Trossini, Gustavo Henrique Goulart

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 2.24 MB

english, 2015

15

Electrochemical Reduction Using Glassy Carbon Electrode in Aqueous Medium of a Potential Anti-Chagas Drug: NFOH

La-Scalea, M. A., Trossini, G. H. G., Menezes, C. M. S., Chung, M. C., Ferreira, E. I.

Journal:

Journal of The Electrochemical Society

Year:

2009

Language:

english

File:

PDF, 155 KB

english, 2009

16

Benchmark studies of UV–vis spectra simulation for cinnamates with UV filter profile

Garcia, Ricardo D’A., Maltarollo, Vinícius G., Honório, Káthia M., Trossini, Gustavo H. G.

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 4.84 MB

english, 2015

17

Hologram QSAR Studies of Antiprotozoal Activities of Sesquiterpene Lactones

Trossini, Gustavo, Maltarollo, Vinícius, Schmidt, Thomas

Journal:

Year:

2014

Language:

english

File:

PDF, 995 KB

english, 2014

18

Pharmacological Evaluation and Preparation of Nonsteroidal Anti-Inflammatory Drugs Containing an N-Acyl Hydrazone Subunit

de Melo, Thais, Chelucci, Rafael, Pires, Maria, Dutra, Luiz, Barbieri, Karina, Bosquesi, Priscila, Trossini, Gustavo, Chung, Man, dos Santos, Jean

Journal:

International Journal of Molecular Sciences

Year:

2014

Language:

english

File:

PDF, 593 KB

english, 2014

19

Hologram quantitative structure–activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Maltarollo, Vinícius G, Honório, Káthia M, Emery, Flavio S, Ganesan, Arasu, Trossini, Gustavo HG

Journal:

Future Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 2.02 MB

english, 2015

20

In silico studies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment

Almeida, Michell O., Trossini, Gustavo H. G., Maltarollo, Vinícius G., Silva, Danielle da C., Honorio, Kathia M.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.99 MB

english, 2015

21

Synthesis Optimization of Hydroxymethylnitrofurazone, an Antichagasic Candidate, Using 32 Factorial Design

H.G. Trossini, Gustavo, Giarolla, Jeanine, de Rezende, Leandro, T. do Amaral, Antonia, H. Zaim, Marcio, E. Bruns, Roy, I. Ferreira, Elizabeth

Journal:

Letters in Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 171 KB

english, 2010

22

Theoretical study of tautomers and photoisomers of avobenzone by DFT methods

Trossini, Gustavo H. G., Maltarollo, Vinicius G., Garcia, Ricardo D’A., Pinto, Claudinéia A. S. O., Velasco, Maria V. R., Honorio, Kathia M., Baby, André R.

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

23

Synthesis of two ‘heteroaromatic rings of the future’ for applications in medicinal chemistry

Silva Júnior, P. E., Rezende, L. C. D., Gimenes, Julia Possamai, Maltarollo, Vinícius Gonçalves, Dale, James, Trossini, G. H. G., Emery, F. S., Ganesan, A.

Journal:

Year:

2016

Language:

english

File:

PDF, 785 KB

english, 2016

24

Aplication of bioisosterism in design of the semicarbazone derivatives: A theoretical and experimental study

Vital, Drielli G., Damasceno, Flávia, Rapado, Ludmila N., Silber, Ariel M., Vilella, Filipe S., Ferreira, Rafaela S., Maltarollo, Vinícius G., Trossini, Gustavo H. G.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 2.99 MB

english, 2016

25

Quantitative Structure-activity relationships (HQSAR, CoMFA and CoMSIA) studies for a COX-2 selective inhibitors

Gomes, Renan A., Genesi, Giovani L., Maltarollo, Vinicius G., Trossini, Gustavo H. G.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 852 KB

english, 2016

26

ChemInform Abstract: Synthesis of Two ′Heteroaromatic Rings of the Future′ for Applications in Medicinal Chemistry.

Silva, P. E. Jr., Rezende, L. C. D., Possamai Gimenes, Julia, Goncalves Maltarollo, Vinicius, Dale, James, Trossini, G. H. G., Emery, F. S., Ganesan, A.

Journal:

Year:

2016

File:

PDF, 26 KB

2016

27

Toward chelerythrine optimization: analogues designed by molecular simplification exhibit selective growth inhibition in non-small-cell lung cancer cells

Yang, Rosania, Tavares, Maurício T., Teixeira, Sarah F., Azevedo, Ricardo A., Pietro, Diego C., Fernandes, Thais B., Ferreira, Adilson K., Trossini, Gustavo H.G., Barbuto, José A.M., Parise-Filho, Rob

Journal:

Bioorganic & Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

28

Understanding PPAR-δ affinity and selectivity using hologram quantitative structure–activity modeling, molecular docking and GRID calculations

Maltarollo, Vinicius G, Araujo, Sheila C, G Trossini, Gustavo H, Honorio, Kathia M

Journal:

Future Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 2.48 MB

english, 2016

29

Theoretical and voltammetric studies of 5-Nitro-heterocyclic derivatives with potential trypanocidal activities

Paula, Fávero R., Trossini, Gustavo H. G., Ferreira, Elizabeth I., Serrano, Silvia H. P., Menezes, Carla M. S., Tavares, Leoberto C.

Journal:

Journal of the Brazilian Chemical Society

Year:

2010

File:

PDF, 669 KB

2010

30

Studies of Staphylococcus aureus FabI inhibitors: fragment-based approach based on holographic structure–activity relationship analyses

Kronenberger, Thales, Asse, Leonardo Rander, Wrenger, Carsten, Trossini, Gustavo Henrique Goulart, Honorio, Kathia Maria, Maltarollo, Vinicius Gonçalves

Journal:

Future Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 4.95 MB

english, 2017

31

An integrated approach towards the discovery of novel non-nucleoside Leishmania major pteridine reductase 1 inhibitors

Leite, Franco Henrique Andrade, Froes, Thamires Quadros, da Silva, Suellen Gonçalves, de Souza, Evandro Italo Macêdo, Vital-Fujii, Drielli Gomes, Trossini, Gustavo Henrique Goulart, Pita, Samuel Silva

Journal:

European Journal of Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 1.80 MB

english, 2017

32

Fragment-Based Drug Discovery as Alternative Strategy to the Drug Development for Neglected Diseases

Mello, Juliana da Fonseca Rezende e, Gomes, Renan Augusto, Vital-Fujii, Drielli Gomes, Ferreira, Glaucio Monteiro, Trossini, Gustavo Henrique Goulart

Journal:

Chemical Biology & Drug Design

Year:

2017

Language:

english

File:

PDF, 464 KB

english, 2017

33

GQ-11: A new PPAR agonist improves obesity-induced metabolic alterations in LDLr−/− mice

Silva, Jacqueline C., de Oliveira, Edson M., Turato, Walter M., Trossini, Gustavo H. G., Maltarollo, Vinícius G., Pitta, Marina G. R., Pitta, Ivan R., de las Heras, Beatriz, Boscá, Lisardo, Rudnicki,

Journal:

International Journal of Obesity

Year:

2018

Language:

english

File:

PDF, 1.39 MB

english, 2018

34

Molecular cloning and characterization of pirarucu (Arapaima gigas) follicle-stimulating hormone and luteinizing hormone β-subunit cDNAs

Sevilhano, Thais, Carvalho, Roberto Feitosa de, Oliveira, Nélio Alessandro de Jesus, Oliveira, João Ezequiel, Maltarollo, Vinicius Gonçalves, Trossini, Gustavo, Garcez, Riviane, Bartolini, Paolo, Vaud

Journal:

Year:

2017

Language:

english

File:

PDF, 7.63 MB

english, 2017

35

Advances and Challenges in Drug Design of PPARδ Ligands

Maltarollo, Vinicius Goncalves, Kronenberger, Thales, Windshugel, Bjorn, Wrenger, Carsten, Trossini, Gustavo Henrique Goulart, Honorio, Kathia Maria

Journal:

Current Drug Targets

Year:

2018

Language:

english

File:

PDF, 2.32 MB

english, 2018

36

Identification, In Vitro Testing and Molecular Docking Studies of Microginins’ Mechanism of Angiotensin-Converting Enzyme Inhibition

Paiva, Fernanda, Ferreira, Glaucio, Trossini, Gustavo, Pinto, Ernani

Journal:

Year:

2017

Language:

english

File:

PDF, 1.48 MB

english, 2017

37

β-amino alcohols and their respective 2-phenyl-N-alkyl aziridines as potential DNA minor groove binders

Vaidergorn, Miguel M., Carneiro, Zumira A., Lopes, Carla D., de Albuquerque, Sérgio, Reis, Felipe C.C., Nikolaou, Sofia, Mello, Juliana F.R., Genesi, Giovani L., Trossini, Gustavo H.G., Ganesan, A., E

Journal:

European Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.43 MB

english, 2018

38

Caracterização físico-química de complexo de inclusão entre hidroximetilnitrofurazona e hidroxipropil-beta-ciclodextrina

Grillo, Renato, Melo, Nathalie F. S. de, Fraceto, Leonardo Fernandes, Brito, Charles L., Trossini, Gustavo H. G., Menezes, Carla M. S., Ferreira, Elizabeth Igne, Moraes, Carolina Morales

Journal:

Year:

2008

File:

PDF, 349 KB

2008

39

Complementary Quantitative Structure–Activity Relationship Models for the Antitrypanosomal Activity of Sesquiterpene Lactones

Kimani, Njogu M., Matasyoh, Josphat C., Kaiser, Marcel, Nogueira, Mauro S., Trossini, Gustavo H. G., Schmidt, Thomas J.

Journal:

International Journal of Molecular Sciences

Year:

2018

Language:

english

File:

PDF, 2.47 MB

english, 2018

40

QSAR studies on the human sirtuin 2 inhibition by non-covalent 7,5,2-anilinobenzamide derivatives

Ferreira, Glaucio Monteiro, Magalhães, Juliana Gallottini de, Maltarollo, Vinícius Gonçalves, Kronenberger, Thales, Ganesan, Arasu, Emery, Flávio da Silva, Trossini, Gustavo Henrique Goulart

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2019

Language:

english

File:

PDF, 1.37 MB

english, 2019

41

Síntese de heterociclos bioativos derivados do ferroceno

Pereira, Claudio M. P., Venzke, Dalila, Trossini, Gustavo H. G.

Journal:

Year:

2013

File:

PDF, 341 KB

2013

42

Indole-3-glyoxyl tyrosine: synthesis and antimalarial activity against Plasmodium falciparum

Vasconcelos, Stanley NS, Meissner, Kamila A, Ferraz, Witor R, Trossini, Gustavo HG, Wrenger, Carsten, Stefani, Hélio A

Journal:

Future Medicinal Chemistry

Year:

2019

File:

PDF, 1.05 MB

2019

43

Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins

Ferreira, Glaucio Monteiro, Kronenberger, Thales, de Almeida, Éryka Costa, Sampaio, Joseane, Terra, Clélia Ferreira, Pinto, Ernani, Trossini, Gustavo Henrique Goulart

Journal:

Year:

2019

File:

PDF, 2.87 MB

2019

44

Insights on 3D Structures of Potential DrugâTargeting Proteins of SARSâCoVâ2: Application of Cavity Search and Molecular Docking

Paula, Favero Reisdorfer, Fernandes, Mariana Sabo, da Silva, Francielly Silva, Freitas, Ana Carolina Silva Grillo, de Melo, Eduardo Borges, Trossini, Gustavo Henrique Goulart

Journal:

Molecular Informatics

Year:

2020

File:

PDF, 1.67 MB

2020

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