Virtual Screening
Mostrando 1-12 de 61 artigos, teses e dissertações.
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1. Impact of COVID-19 on Cardiothoracic Surgery: Experience of Alexandria (Egypt) Main University Hospital
ABSTRACT Introduction: The current coronavirus pandemic has greatly strained the limited resources that had previously maintained the sustainability of the high-cost cardiothoracic surgeries in low-income countries like Egypt. Methods: Hospital databases and patients’ records were reviewed to evaluate the impact of the pandemic on the workflow and waitin
Brazilian Journal of Cardiovascular Surgery. Publicado em: 2022
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2. Identification of Potential Human Protein Targets for Soybean Isoflavones
Soy isoflavones have been reported as endocrine disruptors due to their ability to modulate the activity of estrogen receptors (ERs) in mammals; however, its ability to modulate other metabolic pathways is not entirely clear, which makes it necessary to identify new pharmacological targets that interact with these compounds present in soybean. In this work,
J. Braz. Chem. Soc.. Publicado em: 2021-04
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3. Synthesis, in silico Study and Antileishmanial Evaluation of New Selenides Derived from 7-Chloro-quinoline and N-Phenylacetamides
This study describes a virtual screening performed for two series of selenides (28 compounds), derived from N-phenylacetamides chlorides and 7-chloro-quinoline, to determine their potential for leishmanicidal activity against Leishmania amazonensis and Leishmania donovani. Seven compounds were predicted as potential leishmanicides; therefore, they were synth
J. Braz. Chem. Soc.. Publicado em: 2021-04
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4. Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery
The increasing availability of extensive collections of chemical compounds associated with experimental data provides an opportunity to build predictive quantitative structure-activity relationship (QSAR) models using machine learning (ML) algorithms. These models can promote data-driven decisions and have the potential to speed up the drug discovery process
J. Braz. Chem. Soc.. Publicado em: 2021-01
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5. Identification of Flavonoids as Inhibitors of Plasmodium falciparum Enoyl-ACP Reductase by Hierarchical Virtual Screening
Malaria, a parasitic infection caused by Plasmodium falciparum, is a serious global public health problem. The enzyme enoyl-acyl carrier protein (ACP) reductase present in a limiting step in the biosynthesis of fatty acids type II was used to search for novel molecules with potential inhibitor by virtual screening techniques. A flavonoid library obtained in
J. Braz. Chem. Soc.. Publicado em: 2020-12
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6. What is the best Cardiovascular Risk Score for the Brazilian Population?
Malaria, a parasitic infection caused by Plasmodium falciparum, is a serious global public health problem. The enzyme enoyl-acyl carrier protein (ACP) reductase present in a limiting step in the biosynthesis of fatty acids type II was used to search for novel molecules with potential inhibitor by virtual screening techniques. A flavonoid library obtained in
Int. J. Cardiovasc. Sci.. Publicado em: 2020-12
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7. Virtual Screening of Secondary Metabolites of the Family Velloziaceae J. Agardh with Potential Antimicrobial Activity
The objective of this work was to carry out a bibliographic survey of secondary metabolites isolated from the Velloziaceae family, creating a bank of compounds. After the bank was created, four prediction models for potentially active compounds against pathogenic microorganisms (Candida albicans, Escherichia coli, Pseudomonas aeruginosa and Salmonella sp.) w
J. Braz. Chem. Soc.. Publicado em: 2020-10
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8. Circulação Extracorpórea na Cirurgia de Revascularização do Miocárdio no Estado de São Paulo. O Estudo REPLICCAR
The objective of this work was to carry out a bibliographic survey of secondary metabolites isolated from the Velloziaceae family, creating a bank of compounds. After the bank was created, four prediction models for potentially active compounds against pathogenic microorganisms (Candida albicans, Escherichia coli, Pseudomonas aeruginosa and Salmonella sp.) w
Arq. Bras. Cardiol.. Publicado em: 2020-10
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9. Erratum
Resumo. Testes cognitivos breves (TCBs) são necessários para a detecção precoce do comprometimento cognitivo, particularmente nos serviços de atenção primária. Objetivo: Este artigo descreve uma revisão sistemática dos TCBs avaliados em populações peruanas. Métodos: Utilizamos técnicas de mapeamento sistemático para identificar artigos sobre
Braz. J. Biol.. Publicado em: 2020-06
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10. Errata
Resumo. Testes cognitivos breves (TCBs) são necessários para a detecção precoce do comprometimento cognitivo, particularmente nos serviços de atenção primária. Objetivo: Este artigo descreve uma revisão sistemática dos TCBs avaliados em populações peruanas. Métodos: Utilizamos técnicas de mapeamento sistemático para identificar artigos sobre
Rev. bras. educ. espec.. Publicado em: 2020-06
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11. Testes cognitivos breves validados no Peru para detecção de comprometimento cognitivo: um mapeamento sistemático da literatura científica
Resumo. Testes cognitivos breves (TCBs) são necessários para a detecção precoce do comprometimento cognitivo, particularmente nos serviços de atenção primária. Objetivo: Este artigo descreve uma revisão sistemática dos TCBs avaliados em populações peruanas. Métodos: Utilizamos técnicas de mapeamento sistemático para identificar artigos sobre
Dement. neuropsychol.. Publicado em: 2020-06
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12. 4D-QSAR Study of 17β-Hydroxysteroid Dehydrogenase Type 3 Inhibitors
Prostate cancer is one of the most common form of cancer among men, and its incidence has been increasing progressively. Since the prostate depends on androgenic hormones to regulate its growth and development, interference with androgenic biosynthesis are important to control the disease. Thus, in this work, a 4D-quantitative structure-activity relationship
J. Braz. Chem. Soc.. Publicado em: 04/07/2019