An AI and virtual reality-based computational model to simulate olfactory responses: proposing a research strategy

conference-paper

2024

Contributors: Yasmim Thasla Santos Ferreira, Alexandre Gomes de Siqueira, Carolina Horta Andrade, Ingrid Winkler

Introducing CRAFT: The Center for Research and Advancement in Fragments and molecular Targets

ACS Medicinal Chemistry Letters

journal-article

2024

Contributors: Carolina Horta Andrade, Maria Cristina Nonato, Flavio da Silva Emery

Enhancing hERG Risk Assessment with Interpretable Classificatory and Regression Models

Chemical Research in Toxicology

journal-article

2024

Contributors: Igor H. Sanches, Rodolpho C. Braga, Vinicius M. Alves, Carolina Horta Andrade

Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2

ACS Omega

journal-article

2024

Contributors: Aline D. da Purificação, Sabrina Silva-Mendonça, Luiza V. Cruz, Carolina Q. Sacramento, Jairo R. Temerozo, Natalia Fintelman-Rodrigues, Caroline Souza de Freitas, Bruna Fleck Godoi, Miguel Menezes Vaidergorn, Juliana Almeida Leite, Luis Carlos Salazar Alvarez, Murillo V. Freitas, MERYCK FELIPE BRITO SILVA, Bianca A. Martin, Renata F. V. Lopez, Neves B.J., Fabio T. M. Costa, Thiago M. L. Souza, Flavio S. Emery, Carolina Andrade, M. Cristina Nonato

Whole genome sequencing identifies novel mutations in malaria parasites resistant to artesunate (ATN) and to ATN + mefloquine combination

Frontiers in Cellular and Infection Microbiology

journal-article

2024

Contributors: Gustavo Capatti Cassiano, Axel Martinelli, Melina Mottin, Bruno Junior Neves, Carolina Horta Andrade, Pedro Eduardo Ferreira, Pedro Cravo

Selective Bias Virtual Screening for Discovery of Promising Antimalarial Candidates targeting Plasmodium N-Myristoyltransferase

preprint

2024

Contributors: Carolina Andrade, Bruna Katiele de Paula Sousa, Sunniva Sigurdardóttir, Catarina Bourgard, Joyce Borba, Leandro Clementino, Luis Carlos Salazar-Alvarez, Sophia Groustra, Rachael Zigweid, Monique Khim, Bart Staker, Fabio Costa, Leif Eriksson, Per Sunnerhagen

Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni

Scientific Reports

journal-article

2024

Contributors: Lauro Ribeiro de Souza Neto, Bogar Omar Montoya, José Brandão-Neto, Anil Verma, Sebastian Bowyer, José Teófilo Moreira-Filho, Rafael Ferreira Dantas, Bruno Junior Neves, Carolina Horta Andrade, Frank von Delft, Raymond J. Owens, Nicholas Furnham, Floriano Paes Silva-Jr

Artificial intelligence systems for the design of magic shotgun drugs

Artificial Intelligence in the Life Sciences

journal-article

2023

Contributors: José Teófilo Moreira-Filho, Meryck Felipe Brito da Silva, Joyce Villa Verde Bastos Borba, Arlindo Rodrigues Galvão Filho, Eugene N Muratov, Carolina Horta Andrade, Rodolpho de Campos Braga, Neves B.J.

Identification of potential inhibitors of casein kinase 2 alpha of <i>Plasmodium falciparum</i> with potent <i>in vitro</i> activity

Antimicrobial Agents and Chemotherapy

journal-article

2023

Contributors: Kaira C. P. Tomaz, Tatyana A. Tavella, Joyce V. B. Borba, Luis C. Salazar-Alvarez, João E. Levandoski, Melina Mottin, Bruna K. P. Sousa, et al.

Artificial intelligence-guided approach for efficient virtual screening of hits against Schistosoma mansoni

Future Medicinal Chemistry

journal-article

2023

Contributors: José Teófilo Moreira-Filho, Bruno Junior Neves, Rayssa Araujo Cajas, Josué de Moraes, Carolina Horta Andrade

Proteomic identification of metabolic changes in Paracoccidioides brasiliensis induced by a nitroheteroarylchalcone

Future Microbiology

journal-article

2023

Contributors: Marcos ABC Júnior, Lívia C Silva, Olivia B Rocha, Amanda A Oliveira, Igor G Portis, Antonio Alonso, Lais Alonso, Kleber SF Silva, Marcelo N Gomes, Carolina H Andrade, Célia MA Soares, Maristela Pereira

School of cheminformatics in Latin America

Journal of Cheminformatics

journal-article

2023

Contributors: Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martinez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil

Transcriptomics-Guided In Silico Drug Repurposing: Identifying New Candidates with Dual-Stage Antiplasmodial Activity

ACS Omega

journal-article

2023

Contributors: Joyce V. B. Borba, Beatriz Rosa de Azevedo, Larissa A. Ferreira, Aline Rimoldi, Luís C. Salazar Alvarez, Juliana Calit, Daniel Y. Bargieri, Fabio T. M. Costa, Carolina Horta Andrade

Cheminformatics-driven discovery of hit compounds against Paracoccidioides spp.

Future Medicinal Chemistry

journal-article

2023

Contributors: Amanda Alves de Oliveira, Lívia do Carmo Silva, Bruno Junior Neves, Vinícius Alexandre Fiaia Costa, Eugene N Muratov, Carolina Horta Andrade, Célia Maria de Almeida Soares, Vinicius M Alves, Maristela Pereira

Exploring New Horizons: Empowering Computer-assisted Drug Design with Few-shot Learning

Artificial Intelligence in the Life Sciences

journal-article

2023

Contributors: Sabrina Silva Mendonça, Arthur Ricardo de Sousa Vitória, Telma Woerle de Lima, Arlindo Rodrigues Galvão Filho, Carolina Horta Andrade

Identification of novel Zika virus NS3 protease inhibitors with different inhibition modes by integrative experimental and computational approaches

Biochimie

journal-article

2023

Contributors: Milene Aparecida Andrade, Melina Mottin, Bruna K.de P. Sousa, João Alexandre Ribeiro Gonçalves Barbosa, Clênia dos Santos Azevedo, Camila Lasse Silva, Marina Gonçalves de Andrade, Flávia Nader Motta, Christine Maulay-Bailly, Séverine Amand, Jaime Martins de Santana, Carolina Horta Andrade, Philippe Grellier, Izabela M. D. Bastos

Multitask learning-driven identification of novel antitrypanosomal compounds

Future Medicinal Chemistry

journal-article

2023

Contributors: Jade Milhomem Lemos, Meryck Felipe Brito da Silva, Alexandra Maria dos Santos Carvalho, Henric Pietro Vicente Gil, Vinícius Alexandre Fiaia Costa, Carolina Horta Andrade, Rodolpho Campos Braga, Philippe Grellier, Eugene N Muratov, Sébastien Charneau, José Teófilo Moreira-Filho, Izabela Marques Dourado Bastos, Bruno Junior Neves

The CDR3 region as the major driver of TREM-1 interaction with its ligands, an in silico characterization

Computational and Structural Biotechnology Journal

journal-article

2023

Contributors: Amanda de Oliveira Matos, Pedro Henrique dos Santos Dantas, Mike Telemaco Contreras Colmenares, Geraldo Rodrigues Sartori, Marcelle Silva-Sales, João Herminio Martins Da Silva, Bruno Junior Neves, Carolina Horta Andrade, Helioswilton Sales-Campos

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika

Journal of Chemical Information and Modeling

journal-article

2022

Contributors: Melina Mottin, Bruna Katiele de Paula Sousa, Nathalya Cristina de Moraes Roso Mesquita, Ketllyn Irene Zagato de Oliveira, Gabriela Dias Noske, Geraldo Rodrigues Sartori, Aline de Oliveira Albuquerque, Fabio Urbina, Puhl, A. C., José Teófilo Moreira-Filho, Guilherme Souza, Rafael V. C. Guido, Eugene Muratov, Neves B.J., João Silva, Alex E. Clark, Jair L. Siqueira-Neto, Alexander L. Perryman, Glaucius Oliva, Sean Ekins, Carolina Andrade

Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches

Pharmaceuticals

journal-article

2022

Contributors: Paulo Ramos, Melina Mottin, Lima, C. S., Letícia R. Assis, Ketllyn Zagato de Oliveira, Nathalya Cristina de Moraes Roso Mesquita, Natasha Marques Cassani, Igor de Andrade Santos, Joyce Villa Verde Bastos Borba, Vinícius Alexandre Fiaia Costa, Neves B.J., Guido, RVC, Glaucius Oliva, Jardim, ACG, Luis Octávio Regasini, Carolina Andrade

The tetrapartite synapse in neuropsychiatric disorders: Matrix metalloproteinases (MMPs) as promising targets for treatment and rational drug design

Biochimie

journal-article

2022

Contributors: Adriano Chaves, Melina Mottin, Deniele Bezerra Lós, Carolina Horta Andrade, Danielle S. Macedo

Neuroprotective effects of dimethyl fumarate against depression-like behaviors via astrocytes and microglia modulation in mice: possible involvement of the HCAR2/Nrf2 signaling pathway

Naunyn-Schmiedeberg's Archives of Pharmacology

journal-article

2022

Contributors: Alana Souza, Iardja Stéfane Lopes, Adriano José Maia Chaves Filho, Talita Matias Barbosa Cavalcante, João Victor Souza Oliveira, Michele Albuquerque Jales de Carvalho, Klistenes Alves de Lima, Paloma Marinho Jucá, Sabrina Silva Mendonça, Melina Mottin, Carolina Horta Andrade, Francisca Cléa Florenço de Sousa, Danielle S. Macedo, Marta Maria de França Fonteles

Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors

ACS Omega

journal-article

2022

Contributors: Puhl, A. C., Melina Mottin, Carolina Q. Sacramento, Tatyana Almeida Tavella, Gabriel Gonçalves Dias, Natalia Fintelman-Rodrigues, Jairo R. Temerozo, Suelen S. G. Dias, Paulo Ricardo Pimenta da Silva Ramos, Eric M. Merten, Kenneth H. Pearce, Fabio Trindade Maranhão Costa, Lakshmanane Premkumar, Thiago Moreno L. Souza, Carolina Andrade, Sean Ekins

Characterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate

Scientific Reports

journal-article

2022

Contributors: Marjorie C. L. C. Freire, Luis G. M. Basso, Luis F. S. Mendes, Nathalya C. M. R. Mesquita, Melina Mottin, Rafaela S. Fernandes, Lucca R. Policastro, Andre S. Godoy, Igor A. Santos, Uriel E. A. Ruiz, Icaro P. Caruso, Bruna K. P. Sousa, Ana C. G. Jardim, Fabio C. L. Almeida, Laura H. V. G. Gil, Carolina H. Andrade, Glaucius Oliva

Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins

Bioorganic Chemistry

journal-article

2022

Contributors: Melina Mottin, Lindsay K. Caesar, David Brodsky, Nathalya C.M.R. Mesquita, Ketllyn Zagato de Oliveira, Gabriela Dias Noske, Bruna K.P. Sousa, Paulo R.P.S. Ramos, Hannah Jarmer, Bonnie Loh, Kimberley M. Zorn, Daniel H. Foil, Pedro M. Torres, Rafael V.C. Guido, Glaucius Oliva, Frank Scholle, Sean Ekins, Nadja B. Cech, Carolina H. Andrade, Scott M. Laster

STopTox: An <i>in Silico</i> Alternative to Animal Testing for Acute Systemic and Topical Toxicity

Environmental Health Perspectives

journal-article

2022

Contributors: Joyce Villa Verde Bastos Borba, Vinicius Alves, Rodolpho C. Braga, Daniel R. Korn, Kirsten Overdahl, SILVA, A.C., Steven Hall, et al.

Update and elucidation of Plasmodium kinomes: Prioritization of kinases as potential drug targets for malaria

Computational and Structural Biotechnology Journal

journal-article

2022

Contributors: Joyce Villa Verde Bastos Borba, Arthur de Carvalho e Silva, Marília Nunes do Nascimento, Letícia Tiburcio Ferreira, Aline Rimoldi, Luísa Starling, Pablo Ivan Pereira Ramos, Fabio Trindade Maranhão Costa, Carolina Horta Andrade

Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers

Chemical Research in Toxicology

journal-article

2021

Contributors: Joyce V. B. Borba, Rodolpho C. Braga, Vinicius M. Alves, Eugene N. Muratov, Nicole Kleinstreuer, Alexander Tropsha, Carolina Horta Andrade

Dihydroquinoline derivative as a potential anticancer agent: synthesis, crystal structure, and molecular modeling studies

Molecular Diversity

journal-article

2021

Contributors: Wesley Fonseca Vaz, J. M. F. Custodio, G. D. C. D’Oliveira, B. J. Neves, P. S. C. Junior, J. T. M. Filho, C. H. Andrade, C. N. Perez, E. P. Silveira-Lacerda, H. B. Napolitano

Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery

Journal of the Brazilian Chemical Society

journal-article

2021

Contributors: Bruno Neves, José Moreira-Filho, Arthur Silva, Joyce Borba, Melina Mottin, Vinicius Alves, Rodolpho Braga, Eugene Muratov, Carolina Andrade

Dynamic behavior of Dengue and Zika viruses NS1 protein reveals monomer–monomer interaction mechanisms and insights to rational drug design

Journal of Biomolecular Structure and Dynamics

journal-article

2020

Contributors: Ricardo Lemes Gonçalves, Gabriela de Lima Menezes, Luciane Sussuchi, Marcos Lázaro Moreli, Melina Mottin, Carolina Horta Andrade, Maristela Pereira, Roosevelt Alves da Silva

Deep Learning-driven research for drug discovery: Tackling Malaria

PLOS Computational Biology

journal-article

2020

Contributors: Bruno J. Neves, Quaid Morris, Rodolpho C. Braga, Vinicius M. Alves, Marília N. N. Lima, Gustavo C. Cassiano, Eugene N. Muratov, Fabio T. M. Costa, Carolina Horta Andrade

In silico-driven identification of novel molluscicides effective against Biomphalaria glabrata (Say, 1818)

New Journal of Chemistry

journal-article

2020

Contributors: Daniela Braz dos Santos, José Teófilo Moreira-Filho, Amanda de Oliveira Melo, Josiel Araújo Lemes, Luciana Damacena Silva, Thiago Lopes Rocha, Carolina Horta Andrade, Bruno Junior Neves, José Clecildo Barreto Bezerra

Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential

Journal of Natural Products

journal-article

2019

Contributors: Emerson A. Oliveira, Ivanildo A. Brito, Marta L. Lima, Maiara Romanelli, José T. Moreira-Filho, Bruno J. Neves, Carolina H. Andrade, Patricia Sartorelli, Andre G. Tempone, Thais A. Costa-Silva, João Henrique G. Lago

Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening

European Journal of Medicinal Chemistry

journal-article

2019

Contributors: Cleber C. Melo-Filho, Rodolpho C. Braga, Eugene N. Muratov, Caio Haddad Franco, Carolina B. Moraes, Lucio H. Freitas-Junior, Carolina Horta Andrade

Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria

Phytomedicine

journal-article

2019

Contributors: Conserva, G.A.A., da Costa-Silva, T.A., Amaral, M., Antar, G.M., Neves, B.J., Andrade, C.H., Tempone, A.G., Lago, J.H.G.

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs

Science Advances

journal-article

2019

Contributors: Alves, V.M., Hwang, D., Muratov, E., Sokolsky-Papkov, M., Varlamova, E., Vinod, N., Lim, C., Andrade, C.H., Tropsha, A., Kabanov, A.

Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings

Expert Opinion on Drug Discovery

journal-article

2019

Contributors: Dantas, R.F., Evangelista, T.C.S., Neves, B.J., Senger, M.R., Andrade, C.H., Ferreira, S.B., Silva-Junior, F.P.

Drug repurposing for paracoccidioidomycosis through a computational chemogenomics framework

Frontiers in Microbiology

journal-article

2019

Contributors: De Oliveira, A.A., Neves, B.J., Do Carmo Silva, L., De Almeida Soares, C.M., Andrade, C.H., Pereira, M.

High Throughput and Computational Repurposing for Neglected Diseases

Pharmaceutical Research

journal-article

2019

Contributors: Hernandez, H.W., Soeung, M., Zorn, K.M., Ashoura, N., Mottin, M., Andrade, C.H., Caffrey, C.R., de Siqueira-Neto, J.L., Ekins, S.

Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies

European Journal of Medicinal Chemistry

journal-article

2019

Contributors: Pippione, A.C., Sainas, S., Goyal, P., Fritzson, I., Cassiano, G.C., Giraudo, A., Giorgis, M., Tavella, T.A., Bagnati, R., Rolando, B., Caing-Carlsson, R., Costa, F.T.M., Andrade, C.H., Al-Karadaghi, S., Boschi, D., Friemann, R., Lolli, M.L.

In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases

Current medicinal chemistry

journal-article

2019

Contributors: Andrade, C.H., Neves, B.J., Melo-Filho, C.C., Rodrigues, J., Silva, D.C., Braga, R.C., Cravo, P.V.L.

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

Toxicological Sciences

journal-article

2019

Contributors: Alves, V.M., Borba, J., Capuzzi, S.J., Muratov, E., Andrade, C.H., Rusyn, I., Tropsha, A.

Shortcuts to schistosomiasis drug discovery: The state-of-the-art

book-chapter

2019

Contributors: Moreira-Filho, J.T., Dantas, R.F., Senger, M.R., Silva, A.C., Campos, D.M.B., Muratov, E., Silva-Junior, F.P., Andrade, C.H., Neves, B.J.

Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

Computational and Structural Biotechnology Journal

journal-article

2019

Contributors: Borba, J.V.B., Silva, A.C., Ramos, P.I.P., Grazzia, N., Miguel, D.C., Muratov, E.N., Furnham, N., Andrade, C.H.

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure–Activity Relationships

Journal of Chemical Information and Modeling

journal-article

2018

Contributors: Yen S. Low, Vinicius M. Alves, Denis Fourches, Alexander Sedykh, Carolina Horta Andrade, Eugene N. Muratov, Ivan Rusyn, Alexander Tropsha

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

PLOS Computational Biology

journal-article

2018

Contributors: Sandra Giuliani, James M. Briggs, Arthur C. Silva, Joyce V. V. B. Borba, Pablo I. P. Ramos, Ross A. Paveley, Eugene N. Muratov, Carolina Horta Andrade, Nicholas Furnham

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

Journal of Chemical Information and Modeling

journal-article

2018

Contributors: Vinicius M. Alves, Alexander Golbraikh, Stephen J. Capuzzi, Kammy Liu, Wai In Lam, Daniel Robert Korn, Diane Pozefsky, et al.

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

ACS Sustainable Chemistry & Engineering

journal-article

2018

Contributors: Vinicius M. Alves, Stephen J. Capuzzi, Rodolpho C. Braga, Joyce V. B. Borba, Arthur C. Silva, Thomas Luechtefeld, Thomas Hartung, Carolina Horta Andrade, Eugene N. Muratov, Alexander Tropsha

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

Food and Chemical Toxicology

journal-article

2018

Contributors: Alves, V.M., Muratov, E.N., Zakharov, A., Muratov, N.N., Andrade, C.H., Tropsha, A.

Cheminformatics: An introduction,Quimioinformática: Uma introdução

Quimica Nova

journal-article

2018

Contributors: Alves, V.M., Braga, R.C., Muratov, E.N., Andrade, C.H.

Computational Approaches for Predicting hERG Activity

book-chapter

2018

Contributors: Alves, V.M., Braga, R.C., Andrade, C.H.

Computational drug discovery for the Zika virus

Brazilian Journal of Pharmaceutical Sciences

journal-article

2018

Contributors: Mottin, M., Borba, J.V.V.B., Melo-Filho, C.C., Neves, B.J., Muratov, E., Torres, P.H.M., Braga, R.C., Perryman, A., Ekins, S., Andrade, C.H.

Computer-aided identification of novel anti-paracoccidioidomycosis compounds

Future Microbiology

journal-article

2018

Contributors: Silva, L.C., Neves, B.J., Gomes, M.N., Melo-Filho, C.C., Soares, C.M.A., Andrade, C.H., Pereira, M.

Development of Web and Mobile Applications for Chemical Toxicity Prediction

Journal of the Brazilian Chemical Society

journal-article

2018

Contributors: Vinicius Alves, Rodolpho Braga, Eugene Muratov, Carolina Andrade

Efficacy of sertraline against Trypanosoma cruzi: An in vitro and in silico study

Journal of Venomous Animals and Toxins Including Tropical Diseases

journal-article

2018

Contributors: Ferreira, D.D., Mesquita, J.T., Da Costa Silva, T.A., Romanelli, M.M., Da Gama Jaen Batista, D., Da Silva, C.F., Da Gama, A.N.S., Neves, B.J., Melo-Filho, C.C., Correia Soeiro, M.D.N., Andrade, C.H., Tempone, A.G.

In Vitro, In Silico, and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi

Antimicrobial Agents and Chemotherapy

journal-article

2018

Contributors: Santos, C.C., Lionel, J.R., Peres, R.B., Batista, M.M., Da Silva, P.B., De Oliveira, G.M., Da Silva, C.F., Batista, D.G.J., Souza, S.M.O., Andrade, C.H., Neves, B.J., Braga, R.C., Patrick, D.A., Bakunova, S.M., Tidwell, R.R., Soeiro, M.D.N.C.

Medicinal chemistry perspectives for the 21st century: Challenges and opprotunities,Perspectivas da química medicinal para o século xxi: Desafios e oportunidades

Quimica Nova

journal-article

2018

Contributors: Andrade, C.H., Kümmerle, A.E., Guido, R.V.C.

Molecular modelling and optical properties of a novel fluorinated chalcone

Arabian Journal of Chemistry

journal-article

2018

Contributors: Custodio, J.M.F., Guimarães-Neto, J.J.A., Awad, R., Queiroz, J.E., Verde, G.M.V., Mottin, M., Neves, B.J., Andrade, C.H., Aquino, G.L.B., Valverde, C., Osório, F.A.P., Baseia, B., Napolitano, H.B.

QSAR-based virtual screening: Advances and applications in drug discovery

Frontiers in Pharmacology

journal-article

2018

Contributors: Neves, B.J., Braga, R.C., Melo-Filho, C.C., Moreira-Filho, J.T., Muratov, E.N., Andrade, C.H.

QSAR-driven design and discovery of novel compounds with antiplasmodial and transmission blocking activities

Frontiers in Pharmacology

journal-article

2018

Contributors: Lima, M.N.N., Melo-Filho, C.C., Cassiano, G.C., Neves, B.J., Alves, V.M., Braga, R.C., Cravo, P.V., Muratov, E.N., Calit, J., Bargieri, D.Y., Costa, F.T., Andrade, C.H.

Synthesis and molecular modelling studies of pyrimidinones and pyrrolo[3,4-d]-pyrimidinodiones as new antiplasmodial compounds

Memorias do Instituto Oswaldo Cruz

journal-article

2018

Contributors: Rogerio, K.R., Carvalho, L.J.M., Domingues, L.H.P., Junior Neves, B., Filho, J.T.M., Castro, R.N., Bianco Júnior, C., Daniel-Ribeiro, C.T., Andrade, C.H., Graebin, C.S.

Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity

Biochemical and Biophysical Research Communications

journal-article

2017

Contributors: Melina Mottin, Rodolpho C. Braga, Roosevelt A. da Silva, Joao H. Martins da Silva, Alexander L. Perryman, Sean Ekins, Carolina Horta Andrade

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals

Journal of Chemical Information and Modeling

journal-article

2017

Contributors: Rodolpho C. Braga, Vinicius M. Alves, Eugene N. Muratov, Judy Strickland, Nicole Kleinstreuer, Alexander Trospsha, Carolina Horta Andrade

Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi

Phytomedicine

journal-article

2017

Contributors: Grecco, S.S., Costa-Silva, T.A., Jerz, G., de Sousa, F.S., Alves Conserva, G.A., Mesquita, J.T., Galuppo, M.K., Tempone, A.G., Neves, B.J., Andrade, C.H., Cunha, R.L.O.R., Uemi, M., Sartorelli, P., Lago, J.H.G.

Chalcone derivatives: Promising starting points for drug design

Molecules

journal-article

2017

Contributors: Gomes, M.N., Muratov, E.N., Pereira, M., Peixoto, J.C., Rosseto, L.P., Cravo, P.V.L., Andrade, C.H., Neves, B.J.

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

Bioorganic and Medicinal Chemistry Letters

journal-article

2017

Contributors: Gomes, M.N., Alcântara, L.M., Neves, B.J., Melo-Filho, C.C., Freitas-Junior, L.H., Moraes, C.B., Ma, R., Franzblau, S.G., Muratov, E., Andrade, C.H.

Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds

European Journal of Medicinal Chemistry

journal-article

2017

Contributors: Sainas, S., Pippione, A.C., Giorgis, M., Lupino, E., Goyal, P., Ramondetti, C., Buccinnà, B., Piccinini, M., Braga, R.C., Andrade, C.H., Andersson, M., Moritzer, A.-C., Friemann, R., Mensa, S., Al-Kadaraghi, S., Boschi, D., Lolli, M.L.

Medicinal Chemistry progress in Brazil: Advances in the 40 years of the Brazilian Chemical Society,A evolução da Química Medicinal no Brasil: Avanços nos 40 anos da Sociedade Brasileira de Química

Quimica Nova

journal-article

2017

Contributors: Do Amaral, A.T., Andrade, C.H., Kümmerle, A.E., Guido, R.V.C.

Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages

Chemico-Biological Interactions

journal-article

2017

Contributors: Grecco, S.S., Costa-Silva, T.A., Jerz, G., de Sousa, F.S., Londero, V.S., Galuppo, M.K., Lima, M.L., Neves, B.J., Andrade, C.H., Tempone, A.G., Lago, J.H.G.

QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity

European Journal of Medicinal Chemistry

journal-article

2017

Contributors: Gomes, M.N., Braga, R.C., Grzelak, E.M., Neves, B.J., Muratov, E., Ma, R., Klein, L.L., Cho, S., Oliveira, G.R., Franzblau, S.G., Andrade, C.H.

Illustrating and homology modeling the proteins of the Zika virus [version 1; referees: awaiting peer review]

journal-article

2016

Contributors: Sean Ekins, John Liebler, Bruno J. Neves, Warren G. Lewis, Megan Coffee, Rachelle Bienstock, Christopher Southan, Carolina H. Andrade

Illustrating and homology modeling the proteins of the Zika virus [version 1; referees: 2 approved with reservations]

F1000Research

journal-article

2016

Contributors: Ekins, S., Liebler, J., Neves, B.J., Lewis, W.G., Coffee, M., Bienstock, R., Southan, C., Andrade, C.H.

Open drug discovery for the Zika virus [version 1; referees: awaiting peer review]

journal-article

2016

Contributors: Sean Ekins, Daniel Mietchen, Megan Coffee, Thomas Stratton, Joel Freundlich, Lucio Freitas-Junior, Eugene Muratov, Jair Siqueira-Neto, Antony Williams, Carolina Andrade

Alarms about structural alerts

Green Chemistry

journal-article

2016

Contributors: Alves, V.M., Muratov, E.N., Capuzzi, S.J., Politi, R., Low, Y., Braga, R.C., Zakharov, A.V., Sedykh, A., Mokshyna, E., Farag, S., Andrade, C.H., Kuz'Min, V.E., Fourches, D., Tropsha, A.

Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes

Journal of Natural Products

journal-article

2016

Contributors: Martins, L.F., Mesquita, J.T., Pinto, E.G., Costa-Silva, T.A., Borborema, S.E.T., Galisteo Junior, A.J., Neves, B.J., Andrade, C.H., Shuhaib, Z.A., Bennett, E.L., Black, G.P., Harper, P.M., Evans, D.M., Fituri, H.S., Leyland, J.P., Martin, C., Roberts, T.D., Thornhill, A.J., Vale, S.A., Howard-Jones, A., Thomas, D.A., Williams, H.L., Overman, L.E., Berlinck, R.G.S., Murphy, P.J., Tempone, A.G.

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening

Journal of Medicinal Chemistry

journal-article

2016

Contributors: Neves, B.J., Dantas, R.F., Senger, M.R., Melo-Filho, C.C., Valente, W.C.G., De Almeida, A.C.M., Rezende-Neto, J.M., Lima, E.F.C., Paveley, R., Furnham, N., Muratov, E., Kamentsky, L., Carpenter, A.E., Braga, R.C., Silva-Junior, F.P., Andrade, C.H.

Evaluation of cytotoxic effect of the combination of a pyridinyl carboxamide derivative and oxaliplatin on NCI-H1299 human non-small cell lung carcinoma cells

Biomedicine and Pharmacotherapy

journal-article

2016

Contributors: Teixeira, S.F., de Azevedo, R.A., Silva, A.C., Braga, R.C., Jorge, S.D., Barbuto, J.A.M., Andrade, C.H., Ferreira, A.K.

Illustrating and homology modeling the proteins of the Zika virus [version 2; referees: 2 approved]

F1000Research

journal-article

2016

Contributors: Ekins, S., Liebler, J., Neves, B.J., Lewis, W.G., Coffee, M., Bienstock, R., Southan, C., Andrade, C.H.

Modern approaches to accelerate discovery of new antischistosomal drugs

Expert Opinion on Drug Discovery

journal-article

2016

Contributors: Neves, B.J., Muratov, E., Machado, R.B., Andrade, C.H., Cravo, P.V.L.

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

Green Chemistry

journal-article

2016

Contributors: Alves, V.M., Capuzzi, S.J., Muratov, E.N., Braga, R.C., Thornton, T.E., Fourches, D., Strickland, J., Kleinstreuer, N., Andrade, C.H., Tropsha, A.

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni

Journal of Chemical Information and Modeling

journal-article

2016

Contributors: Melo-Filho, C.C., Dantas, R.F., Braga, R.C., Neves, B.J., Senger, M.R., Valente, W.C.G., Rezende-Neto, J.M., Chaves, W.T., Muratov, E.N., Paveley, R.A., Furnham, N., Kamentsky, L., Carpenter, A.E., Silva-Junior, F.P., Andrade, C.H.

The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

MedChemComm

journal-article

2016

Contributors: Bruno Junior Neves, Rafael Ferreira Dantas, Mario Roberto Senger, Walter César Góes Valente, João de Mello Rezende-Neto, Willian Távora Chaves, Lee Kamentsky, Anne Carpenter, Floriano Paes Silva-Junior, Carolina Horta Andrade

The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

MedChemComm

journal-article

2016

Contributors: Neves, B.J., Dantas, R.F., Senger, M.R., Valente, W.C.G., Rezende-Neto, J.D.M., Chaves, W.T., Kamentsky, L., Carpenter, A., Silva-Junior, F.P., Andrade, C.H.

Blocking the L-type Ca²⁺ channel (Ca<inf>v</inf> 1.2) is the key mechanism for the vascular relaxing effect of Pterodon spp. and its isolated diterpene methyl-6a-acetoxy-7ß-hydroxyvouacapan-17ß-oate

Pharmacological Research

journal-article

2015

Contributors: De Fátima Reis, C., De Andrade, D.M.L., Neves, B.J., De Almeida Ribeiro Oliveira, L., Pinho, J.F., Da Silva, L.P., Cruz, J.D.S., et al.

In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni

Plos Neglected Tropical Diseases

journal-article

2015

Contributors: Neves, Bruno J., Braga, Rodolpho C., Bezerra, Jose C. B., Cravo, Pedro V. L., Andrade, Carolina H.

Natural Products as Leads in Schistosome Drug Discovery

Molecules

journal-article

2015

Contributors: Neves, Bruno J., Andrade, Carolina H., Cravo, Pedro V. L.

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

Molecular Informatics

journal-article

2015

Contributors: Braga, R.C., Alves, V.M., Silva, M.F.B., Muratov, E., Fourches, D., Lião, L.M., Tropsha, A., Andrade, C.H.

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

Toxicology and Applied Pharmacology

journal-article

2015

Contributors: Alves, V.M., Muratov, E., Fourches, D., Strickland, J., Kleinstreuer, N., Andrade, C.H., Tropsha, A.

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

Toxicology and Applied Pharmacology

journal-article

2015

Contributors: Alves, V.M., Muratov, E., Fourches, D., Strickland, J., Kleinstreuer, N., Andrade, C.H., Tropsha, A.

3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

Current Computer-Aided Drug Design

journal-article

2014

Contributors: Melo-Filho, Cleber Camilo, Braga, Rodolpho Campos, Andrade, Carolina Horta

Advances in Methods for Predicting Phase I Metabolism of Polyphenols

Current Drug Metabolism

journal-article

2014

Contributors: Melo-Filho, Cleber Camilo, Braga, Rodolpho Campos, Andrade, Carolina Horta

Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View

Current Topics in Medicinal Chemistry

journal-article

2014

Contributors: Andrade, Carolina H., Braga, Rodolpho C.

Drug metabolism, toxicology experimental determination and theoretical prediction: Challenges and perspectives from a medicinal chemistry point of view

Current Topics in Medicinal Chemistry

journal-article

2014

Contributors: Andrade, C.H., Braga, R.C.

In silico Prediction of Drug Metabolism by P450

Current Drug Metabolism

journal-article

2014

Contributors: Andrade, Carolina H., Silva, Diego C., Braga, Rodolpho C.

Multitarget virtual screening approach: Identification of new hit compounds against Leishmania infantum

Abstracts of Papers of the American Chemical Society

journal-article

2014

Contributors: Braga, Rodolpho C., Pinto, Erika G., Martins, Ligia F., Tempone, Andre G., Liao, Luciano M., Andrade, Carolina H.

New Tuberculostatic Agents Targeting Nucleic Acid Biosynthesis: Drug Design using QSAR Approaches

Current Pharmaceutical Design

journal-article

2014

Contributors: Bueno, Renata V., Braga, Rodolpho C., Segretti, Natanael D., Ferreira, Elizabeth I., Trossini, Gustavo H. G., Andrade, Carolina H.

New tuberculostatic agents targeting nucleic acid biosynthesis: Drug design using QSAR approaches

Current Pharmaceutical Design

journal-article

2014

Contributors: Bueno, R.V., Braga, R.C., Segretti, N.D., Ferreira, E.I., Trossini, G.H.G., Andrade, C.H.

Pred-hERG: A novel web-accessible computational tool for predicting cardiac toxicity of drug candidates

Abstracts of Papers of the American Chemical Society

journal-article

2014

Contributors: Alves, Vinicius M., Braga, Rodolpho C., Silva, Meryck B., Muratov, Eugene, Fourches, Denis, Tropsha, Alexander, Andrade, Carolina H.

Tuning hERG Out: Antitarget QSAR Models for Drug Development

Current Topics in Medicinal Chemistry

journal-article

2014

Contributors: Braga, Rodolpho C., Alves, Vinicius M., Silva, Meryck F. B., Muratov, Eugene, Fourches, Denis, Tropsha, Alexander, Andrade, Carolina H.

Virtual Screening Strategies in Medicinal Chemistry: The State of the Art and Current Challenges

Current Topics in Medicinal Chemistry

journal-article

2014

Contributors: Braga, Rodolpho C., Alves, Vincius M., Silva, Arthur C., Nascimento, Marilia N., Silva, Flavia C., Liao, Luciano M., Andrade, Carolina H.

Anti-inflammatory and antinociceptive activities of LQFM002 - A 4-nerolidylcatechol derivative

Life Sciences

journal-article

2013

Contributors: Costa, E. A., Lino, R. C., Comes, M. N., Nascimento, M. V. M., Fiorentino, I. F., Galdino, P. M., Andrade, C. H., Rezehde, K. R., Magalhaes, L. O., Menegatti, R.

Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol

Journal of Pharmacy and Pharmacology

journal-article

2013

Contributors: Lino, Roberta Campos, Martins, Fabiula Ines, Florentino, Iziara Ferreira, Mariano Nascimento, Marcus Vinicius, Galdino, Pablinny Moreira, Andrade, Carolina H., Rezende, Kennia Rocha, Menegatti, Ricardo, Costa, Elson Alves

Assessing the Performance of 3D Pharmacophore Models in Virtual Screening: How Good are They?

Current Topics in Medicinal Chemistry

journal-article

2013

Contributors: Braga, Rodolpho C., Andrade, Carolina H.

Assessing the performance of 3D pharmacophore models in virtual

Current Topics in Medicinal Chemistry

journal-article

2013

Contributors: Braga, R.C., Andrade, C.H.

Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound

European Journal of Medicinal Chemistry

journal-article

2013

Contributors: Gomes, Tatiana F., Pompeu, Thais E. T., Rodrigues, Daniel A., Noel, Francois, Menegatti, Ricardo, Andrade, Carolina H., Sabino, Jose R., Gil, Eric S., Dalla Costa, Teresa, Betti, Andresa H., Antonio, Camila B., Rates, Stela M. K., Fraga, Carlos A. M., Barreiro, Eliezer J., de Oliveira, Valeria

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches

Bioorganic & Medicinal Chemistry Letters

journal-article

2013

Contributors: Neves, Bruno J., Bueno, Renata V., Braga, Rodolpho C., Andrade, Carolina H.

In silico metabolism studies of dietary flavonoids by CYP1A2 and CYP2C9

Food Research International

journal-article

2013

Contributors: Sousa, Mariana C., Braga, Rodolpho C., Cintra, Bertilha A. S., de Oliveira, Valeria, Andrade, Carolina H.

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies

Journal of Molecular Modeling

journal-article

2013

Contributors: Bueno, Renata V., Toledo, Ney R., Neves, Bruno J., Braga, Rodolpho C., Andrade, Carolina H.

Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)-Possible Effects on Phosphodiesterase

Chemical & Pharmaceutical Bulletin

journal-article

2013

Contributors: Martins, Daniella Ramos, Pazini, Francine, Alves, Vinicius de Medeiros, de Moura, Soraya Santana, Liao, Luciano Morais, Quezado de Magalhaes, Mariana Torquato, Valadares, Marize Campos, Andrade, Carolina Horta, Menegatti, Ricardo, Rocha, Matheus Lavorenti

Synthesis, docking studies, pharmacological activity and toxicity of a novel pyrazole derivative (LQFM 021) - Possible effects on phosphodiesterase

Chemical and Pharmaceutical Bulletin

journal-article

2013

Contributors: Martins, D.R., Pazini, F., Alves, V.D.M., De Moura, S.S., Lião, L.M., De Magalhães, M.T.Q., Valadares, M.C., Andrade, C.H., Menegatti, R., Rocha, M.L.

XII National Meeting of Pharmaceutical Chemistry Professors: Could we have now a subarea of Pharmaceutical and Medicinal Chemistry in the CNPq Pharmacy Comittee?

Brazilian Journal of Pharmaceutical Sciences

journal-article

2013

Contributors: Ferreira, E.I., Barreiro, E.L., Andrade, C.H.

XII National Meeting of Pharmaceutical Chemistry Professors: could we have now a subarea of Pharmaceutical and Medicinal Chemistry in the CNPq Pharmacy Comittee?

Brazilian Journal of Pharmaceutical Sciences

journal-article

2013

Contributors: Ferreira, Elizabeth Igne, Barreiro, Eliezer L., Andrade, Carolina Horta

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

Journal of Molecular Modeling

journal-article

2012

Contributors: Braga, Rodolpho C., Alves, Vinicius M., Fraga, Carlos A. M., Barreiro, Eliezer J., de Oliveira, Valeria, Andrade, Carolina H.

Cyclic Voltammetry and Computational Chemistry Studies on the Evaluation of the Redox Behavior of Parabens and other Analogues

Journal of the Brazilian Chemical Society

journal-article

2012

Contributors: Gil, Eric de S., Andrade, Carolina H., Barbosa, Nusia L., Braga, Rodolpho C., Serrano, Silvia H. P.

Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues

Journal of the Brazilian Chemical Society

journal-article

2012

Contributors: Gil, E.D.S., Andrade, C.H., Barbosa, N.L., Braga, R.C., Serrano, S.H.P.

Integrated Chemoinformatics approaches to virtual screening in the search of new lead compounds against Leishmania

Abstracts of Papers of the American Chemical Society

journal-article

2012

Contributors: Braga, Rodolpho C., Liao, Luciano M., Bezerra, Jose C. B., Vinaud, Marina C. B., Andrade, Carolina H.

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction

Mini-Reviews in Medicinal Chemistry

journal-article

2012

Contributors: Braga, R. C., Andrade, C. H.

QSAR and QM/MM approaches applied to drug metabolism prediction

Mini-Reviews in Medicinal Chemistry

journal-article

2012

Contributors: Braga, R.C., Andrade, C.H.

Twenty-Six Years of HIV science: an overview of anti-HIV drugs metabolism

Brazilian Journal of Pharmaceutical Sciences

journal-article

2011

Contributors: Andrade, Carolina Horta, de Freitas, Lenis Medeiros, de Oliveira, Valeria

Twenty-six years of HIV science: An overview of anti-HIV drugs metabolism

Brazilian Journal of Pharmaceutical Sciences

journal-article

2011

Contributors: Andrade, C.H., de Freitas, L.M., de Oliveira, V.

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents

Journal of Computer-Aided Molecular Design

journal-article

2010

Contributors: Andrade, Carolina Horta, Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Hopfinger, Anton J.

4D-QSAR: Perspectives in Drug Design

Molecules

journal-article

2010

Contributors: Andrade, Carolina H., Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Hopfinger, Anton J.

Design of new dopamine D2 receptor ligands: Biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581

Bioorganic & Medicinal Chemistry Letters

journal-article

2010

Contributors: Pazini, Francine, Menegatti, Ricardo, Sabino, Jose R., Andrade, Carolina H., Neves, Gilda, Rates, Stela M. K., Noel, Francois, Fraga, Carlos A. M., Barreiro, Eliezer J., de Oliveira, Valeria

Discovery of novel hit compounds for Trypanosoma cruzi sterol 14a-demethylase through structure-based virtual screening

Abstracts of Papers of the American Chemical Society

journal-article

2010

Contributors: Braga, Rodolpho C., Sabino, Jose R., de Oliveira, Valeria, Andrade, Carolina H.

Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294

Bioorganic & Medicinal Chemistry Letters

journal-article

2010

Contributors: Carneiro, Emmanuel O., Andrade, Carolina H., Braga, Rodolpho C., Torres, Andrea C. B., Alves, Rosangela O., Liao, Luciano M., Fraga, Carlos A. M., Barreiro, Eliezer J., de Oliveira, Valeria

Rational Design and 3D-Pharmacophore Mapping of 5 '-Thiourea-Substituted alpha-Thymidine Analogues as Mycobacterial TMPK Inhibitors

Journal of Chemical Information and Modeling

journal-article

2009

Contributors: Andrade, Carolina H., Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Hopfinger, Anton J.

Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents

Molecular Diversity

journal-article

2008

Contributors: Andrade, Carolina H., Salum, Livia de B., Castilho, Marcelo S., Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Andricopulo, Adriano D.

Rational approach in the new antituberculosis agent design: inhibitors of InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis

Revista Brasileira De Ciencias Farmaceuticas

journal-article

2008

Contributors: Andrade, Carolina Horta, Mesquita Pasqualoto, Kerly Fernanda, Zaim, Marcio Henrique, Ferreira, Elizabeth Igne

Three-dimensional quantitative structure-activity relationships for a large series of potent antitubercular agents

Letters in Drug Design & Discovery

journal-article

2008

Contributors: Andrade, Carolina Horta, Salum, Livia de Barros, Mesquita Pasqualoto, Kerly Fernanda, Ferreira, Elizabeth Igne, Andricopulo, Adriano Defini