4D-QSAR: perspectives in drug design von Andrade, Carolina H, Pasqualoto, Kerly F M, Ferreira, Elizabeth I, Hopfinger, Anton J

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3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents von Andrade, Carolina Horta, Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Hopfinger, Anton J.

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LQTA-QSAR: A New 4D-QSAR Methodology von Martins, João Paulo A, Barbosa, Euzébio G, Pasqualoto, Kerly F. M, Ferreira, Márcia M. C

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Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors von Andrade, Carolina H, Pasqualoto, Kerly F. M, Ferreira, Elizabeth I, Hopfinger, Anton J

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Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents von Andrade, Carolina H., Salum, Livia de B., Castilho, Marcelo S., Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Andricopulo, Adriano D.

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Rational Design of New Antituberculosis Agents:  Receptor-Independent Four-Dimensional Quantitative Structure−Activity Relationship Analysis of a Set of Isoniazid Derivatives von Pasqualoto, Kerly F. M, Ferreira, Elizabeth I, Santos-Filho, Osvaldo A, Hopfinger, Anton J

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A study of physicochemical and biopharmaceutical properties of Amoxicillin tablets using full factorial design and PCA biplot von Pasqualoto, Kerly F.M., Teófilo, Reinaldo F., Guterres, Marcos, Pereira, Flávia S., Ferreira, Márcia M.C.

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Evaluation and comparison of a new DOTA and DTPA-bombesin agonist in vitro and in vivo in low and high GRPR expressing prostate and breast tumor models von Pujatti, Priscilla B., Foster, Julie M., Finucane, Ciara, Hudson, Chantelle D., Burnet, Jerome C., Pasqualoto, Kerly F.M., Mengatti, Jair, Mather, Stephen J., de Araújo, Elaine B., Sosabowski, Jane K.

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Novel Capsaicin Analogues as Potential Anticancer Agents: Synthesis, Biological Evaluation, and In Silico Approach von Damião, Mariana C. F. C. B., Pasqualoto, Kerly F. M., Ferreira, Adilson K., Teixeira, Sarah F., Azevedo, Ricardo A., Barbuto, José A. M., Palace-Berl, Fanny, Franchi-Junior, Gilberto C., Nowill, Alexandre E., Tavares, Maurício T., Parise-Filho, Roberto

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Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs von Giarolla, Jeanine, Pasqualoto, Kerly F. M., Rando, Daniela G., Zaim, Márcio H., Ferreira, Elizabeth I.

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QSAR Modeling of a Set of Pyrazinoate Esters as Antituberculosis Prodrugs von Fernandes, João P. S., Pasqualoto, Kerly F. M., Felli, Veni M. A., Ferreira, Elizabeth I., Brandt, Carlos A.

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Mastoparan induces apoptosis in B16F10-Nex2 melanoma cells via the intrinsic mitochondrial pathway and displays antitumor activity in vivo von de Azevedo, Ricardo A., Figueiredo, Carlos R., Ferreira, Adilson K., Matsuo, Alisson L., Massaoka, Mariana H., Girola, Natalia, Auada, Aline V.V., Farias, Camyla F., Pasqualoto, Kerly F.M., Rodrigues, Cecília P., Barbuto, José A., Levy, Debora, Bydlowski, Sérgio P., de Sá-Junior, Paulo L., Travassos, Luiz R., Lebrun, Ivo

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Synthesis, characterization, in silico approach and in vitro antiproliferative activity of RPF151, a benzodioxole sulfonamide analogue designed from capsaicin scaffold von Tavares, Maurício T., Pasqualoto, Kerly F.M., van de Streek, Jacco, Ferreira, Adilson K., Azevedo, Ricardo A., Damião, Mariana C.F.C.B., Rodrigues, Cecilia P., de-Sá-Júnior, Paulo L., Barbuto, José A.M., Parise-Filho, Roberto, Ferreira, Fabio F.

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To be drug or prodrug: structure-property exploratory approach regarding oral bioavailability von Damião, Mariana Celestina Frojuello Costa Bernstorff, Pasqualoto, Kerly Fernanda Mesquita, Polli, Michelle Carneiro, Parise Filho, Roberto

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Self-organizing maps and VolSurf approach to predict aldose reductase inhibition by flavonoid compounds von Scotti, Luciana, Fernandes, Mariane B., Muramatsu, Eric, Pasqualoto, Kerly F. M., Emereciano, Vicente de P., Tavares, Leoberto C., Silva, Marcelo Sobral da, Scotti, Marcus T.

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Rational Design and 3D-Pharmacophore Mapping of 5'-Thiourea-Substituted [alpha]-Thymidine Analogues as Mycobacterial TMPK Inhibitors von Andrade, Carolina H, Pasqualoto, Kerly F M, Ferreira, Elizabeth I, Hopfinger, Anton J

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Molecular dynamics simulations of a set of isoniazid derivatives bound to InhA, the enoyl-acp reductase from M. tuberculosis von Pasqualoto, Kerly F. M., Ferreira, Márcia M. C., Santos-Filho, Osvaldo A., Hopfinger, Anton J.

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Application of a Receptor Pruning Methodology to the Enoyl-ACP Reductase from Escherichia coli (FabI) von Pasqualoto, Kerly F. M., Ferreira, Márcia M. C.

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Molecular modeling as a promising tool to study dendrimer prodrugs delivery von Giarolla, Jeanine, Rando, Daniela G., Pasqualoto, Kerly F.M., Zaim, Márcio H., Ferreira, Elizabeth I.

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RPF151, a novel capsaicin-like analogue: in vitro studies and in vivo preclinical antitumor evaluation in a breast cancer model von Ferreira, Adilson Kleber, Tavares, Maurício Temotheo, Pasqualoto, Kerly Fernanda Mesquita, de Azevedo, Ricardo Alexandre, Teixeira, Sarah Fernandes, Ferreira-Junior, Wilson Alves, Bertin, Ariane Matiello, de-Sá-Junior, Paulo Luiz, Barbuto, José Alexandre Marzagão, Figueiredo, Carlos Rogério, Cury, Yara, Damião, Mariana Celestina Frojuello Costa Bernstorff, Parise-Filho, Roberto

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