Search Results - "Weber, Karen C"

Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches by de Carvalho, Luciana L, Maltarollo, Vinícius G, de Lima, Emmanuela Ferreira, Weber, Karen C, Honorio, Kathia M, da Silva, Albérico B F

“…Among several biological targets to treat AIDS, HIV integrase is a promising enzyme that can be employed to develop new anti-HIV agents. The aim of this work…”
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The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery by Pantaleao, Simone Q, Fujii, Drielli G V, Maltarollo, Vinicius G, da C Silva, Danielle, Trossini, Gustavo H G, Weber, Karen C, Scott, Luis P B, Honorio, Kathia M

“…Due to the increasing number of diabetes cases worldwide, there is an international concern to provide even more effective treatments to control this…”
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Identification of electronic and structural descriptors of adenosine analogues related to inhibition of leishmanial glyceraldehyde-3-phosphate dehydrogenase by Lozano, Norka B H, Oliveira, Rafael F, Weber, Karen C, Honorio, Kathia M, Guido, Rafael V, Andricopulo, Adriano D, Da Silva, Albérico B F

“…Quantitative structure-activity relationship (QSAR) studies were performed in order to identify molecular features responsible for the antileishmanial activity…”
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Pattern recognition techniques applied to the study of leishmanial glyceraldehyde-3-phosphate dehydrogenase inhibition by Lozano, Norka B H, Oliveira, Rafael F, Weber, Karen C, Honorio, Kathia M, Guido, Rafael V C, Andricopulo, Adriano D, de Sousa, Alexsandro G, da Silva, Albérico B F

“…Chemometric pattern recognition techniques were employed in order to obtain Structure-Activity Relationship (SAR) models relating the structures of a series of…”
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New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists by Oliveira, Aline A., Lipinski, Célio F., Pereira, Estevão B., Honorio, Kathia M., Oliveira, Patrícia R., Weber, Karen C., Romero, Roseli A. F., de Sousa, Alexsandro G., da Silva, Albérico B. F.

“…The treatment of neuropathic pain is very complex and there are few drugs approved for this purpose. Among the studied compounds in the literature, sigma-1…”
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DFT/PCM, QTAIM, 1H NMR conformational studies and QSAR modeling of thirty-two anti-Leishmania amazonensis Morita–Baylis–Hillman Adducts by Filho, Edilson B.A., Moraes, Ingrid A., Weber, Karen C., Rocha, Gerd B., Vasconcellos, Mário L.A.A.

“…► Potential energy curves and DFT/PCM-B3LYP/6-31+(d) geometry optimization. ► Intramolecular Hydrogen Bonds supported by Quantum Theory Atoms in Molecules. ►…”
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Pharmacophore-based 3D QSAR studies on a series of high affinity 5-HT1A receptor ligands by WEBER, Karen C, SALUM, Lívia B, HONORIO, Káthia M, ANDRICOPULO, Adriano D, DA SILVA, Albérico B. F

“…5-HT(1A) receptor antagonists have been employed to treat depression, but the lack of structural information on this receptor hampers the design of specific…”
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Selection of 2D/3D molecular descriptors and QSAR modeling of aromatic Morita–Baylis–Hillman adducts with leishmanicidal activities by Alencar Filho, Edilson B., Weber, Karen C., Vasconcellos, Mário L. A. A.

“…Aromatic Morita–Baylis–Hillman adducts (MBHA) are a class of compounds which have shown antiparasitic potential in tropical diseases (such as Leishmaniases,…”
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A chemometric study of the 5-HT1A receptor affinities presented by arylpiperazine compounds by WEBER, Karen C, DA SILVA, Albérico B. F

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Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands by Weber, Karen C, de Lima, Emmanuela F, de Mello, Paula H, da Silva, Albérico B.F, Honório, Káthia M

“…Two-dimensional and 3D quantitative structure-activity relationships studies were performed on a series of diarylpyridines that acts as cannabinoid receptor…”
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The use of classification methods for modeling the antioxidant activity of flavonoid compounds by Weber, Karen C, Honório, Káthia M, Bruni, Aline T, da Silva, Albérico B F

“…A study using two classification methods (SDA and SIMCA) was carried out in this work with the aim of investigating the relationship between the structure of…”
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O show da Química: motivando o interesse científico by Arroio, Agnaldo, Honório, Káthia M., Weber, Karen C., Homem-de-Mello, Paula, Gambardella, Maria Teresa do Prado, Silva, Albérico B. F. da

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2-Styryl-quinoline-4-carboxylic acids: Synthesis, characterization, and investigation of their optical properties and antimicrobial activity by de Araújo, Lidiane Gomes, de Jesus, Ashley A.S.S., Dantas, José Roberto, de Oliveira Lima, Edeltrudes, Vaz, Boniek Gontijo, dos Santos, Gabriel Franco, Cristiano, Cláudia M. Zaccaron, Lima-Junior, Claudio Gabriel, de Oliveira Viana, Jéssika, Weber, Karen C., Barbosa, Euzébio Guimarães, Cristiano, Rodrigo

“…Styrylquinoline-based fluorophores 1–10 were synthesized via Knoevenagel and Pfitzinger reactions. The molecules were fully characterized and studied for the…”
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A chemometric study of the 5-HT 1A receptor affinities presented by arylpiperazine compounds by Weber, Karen C., da Silva, Albérico B.F.

“…Arylpiperazine compounds are promising 5-HT 1A receptor ligands that can contribute for accelerating the onset of therapeutic effect of selective serotonin…”
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An Active Search Method for Finding Objects with Near-Optimal Property Values within a Given Set by Matta, Cláudia E. da, Paiva, Henrique M., Galvão, Roberto K. H., Araújo, Mário C. U., Soares, Sófacles F. C., Weber, Karen C., Pinto, Luiz A.

“…This paper proposes an active search method aimed at finding objects with optimal or near-optimal y-property values, on the basis of x-variables obtained by…”
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Pharmacophore-based 3D QSAR studies on a series of high affinity 5-HT 1A receptor ligands by Weber, Karen C., Salum, Lívia B., Honório, Káthia M., Andricopulo, Adriano D., da Silva, Albérico B.F.

“…5-HT 1A receptor antagonists have been employed to treat depression, but the lack of structural information on this receptor hampers the design of specific and…”
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A chemometric study of the 5-HT(1A) receptor affinities presented by arylpiperazine compounds by Weber, Karen C, da Silva, Albérico B F

“…Arylpiperazine compounds are promising 5-HT(1A) receptor ligands that can contribute for accelerating the onset of therapeutic effect of selective serotonin…”
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Research Article: Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands by Weber, Karen C., De Lima, Emmanuela F., De Mello, Paula H., Da Silva, Albérico B. F., Honório, Káthia M.

“…Two‐dimensional and 3D quantitative structure–activity relationships studies were performed on a series of diarylpyridines that acts as cannabinoid receptor…”
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A partial least squares regression study with antioxidant flavonoid compounds by Weber, Karen C., Honório, Káthia M., Bruni, Aline T., Andricopulo, Adriano D., da Silva, Albérico B. F.

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Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands by Weber, Karen C, Honório, Káthia M, Andricopulo, Adriano D, Da Silva, Albérico B F

“…5-HT(1A) receptor plays an important role in the delayed onset of antidepressant action of a class of selective serotonin reuptake inhibitors. Moreover,…”
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