In Silico Models
Mostrando 1-12 de 52 artigos, teses e dissertações.
-
1. BIOMARCADORES MOLECULARES DE DOENÇAS HUMANAS: CONCEITOS FUNDAMENTAIS, MODELOS DE ESTUDO E APLICAÇÕES CLÍNICAS
Molecular biomarkers correspond to all endogenous or exogenous biomolecules, whose presence or alteration in metabolic pathways indicate the response of a biological system to a disturbance caused by internal or external factors. The search for biomarkers has allowed deepening the knowledge of complex pathophysiological mechanisms of diseases, interactions w
Química Nova. Publicado em: 2022
-
2. Association of FAAH p.Pro129Thr and COMT p.Ala72Ser with schizophrenia and comorbid substance use through next-generation sequencing: an exploratory analysis
Objective: Individuals with schizophrenia and substance use disorders have a poor prognosis and increased psychiatric symptoms. The present study aimed to explore the association of 106 genes in individuals with schizophrenia and comorbid substance use through a next-generation sequencing (NGS) analysis and different in silico algorithms. Methods: We includ
Brazilian Journal of Psychiatry. Publicado em: 2022
-
3. 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
-
4. 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
-
5. Influence of Abutment Collar Height and Implant Length on Stress Distribution in Single Crowns
Resumo Este estudo avaliou a influência da altura da porção transmucosa do pilar protético com junção cone morse e do comprimento dos implantes no comportamento biomecânico coroas unitárias com diferentes proporção coroa-implante. Seis modelos virtuais (S11, M11, L11, S13, M13 e L13) foram construídos combinando pilares protéticos com transmucoso
Braz. Dent. J.. Publicado em: 03/06/2019
-
6. In silico prediction of the functional and structural consequences of the non-synonymous single nucleotide polymorphism A122V in bovine CXC chemokine receptor type 1
Resumo O presente estudo objetivou avaliar se o polimorfismo causal A122V promove alterações nas propriedades funcionais e estruturais da proteína receptora de quimiocina CXC do tipo 1 (CXCR1) de bovino Bos taurus por análises in silico. Duas sequências de aminoácidos da CXCR1 bovina foram selecionadas a partir do banco de dados UniProtKB/Swiss-Prot:
Braz. J. Biol.. Publicado em: 18/04/2019
-
7. Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis
N-Myristoylation protein is catalyzed by N-myristoyltransferase (NMT), an essential target in Leishmania donovani, the causative agent of kala-azar. Four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis was applied to a series of 77 Leishmania donovani NMT inhibitors. Then, three new compounds were proposed using QSAR models. In ad
J. Braz. Chem. Soc.. Publicado em: 2018-07
-
8. Mathematical modelling of vector-borne diseases and insecticide resistance evolution
Abstract Background: Vector-borne diseases are important public health issues and, consequently, in silico models that simulate them can be useful. The susceptible-infected-recovered (SIR) model simulates the population dynamics of an epidemic and can be easily adapted to vector-borne diseases, whereas the Hardy-Weinberg model simulates allele frequencies a
J. Venom. Anim. Toxins incl. Trop. Dis. Publicado em: 08/02/2018
-
9. Non-clinical studies required for new drug development - Part I: early in silico and in vitro studies, new target discovery and validation, proof of principles and robustness of animal studies
This review presents a historical overview of drug discovery and the non-clinical stages of the drug development process, from initial target identification and validation, through in silico assays and high throughput screening (HTS), identification of leader molecules and their optimization, the selection of a candidate substance for clinical development, a
Braz J Med Biol Res. Publicado em: 24/10/2016
-
10. Sida tuberculata (Malvaceae): a study based on development of extractive system and in silico and in vitro properties
Sida tuberculata (Malvaceae) is a medicinal plant traditionally used in Brazil as an antimicrobial and anti-inflammatory agent. Here, we aimed to investigate the different extractive techniques on phytochemical parameters, as well as to evaluate the toxicity and antioxidant capacity of S. tuberculata extracts using in silico and in vitro models. Therefore, i
Braz J Med Biol Res. Publicado em: 11/07/2016
-
11. In silico Antibacterial Activity Modeling Based on the TOMOCOMD-CARDD Approach
In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteria has lost much of its momentum and health professionals are grasping for solutions to deal with the unprecedented resistance levels. As a result, there is an urgent need for a concerted effort towards the development of new antimicrobial drugs to stay ahead i
J. Braz. Chem. Soc.. Publicado em: 2015-06
-
12. Association study in Alzheimer’s disease of single nucleotide polymorphisms implicated with coffee consumption
Background There is evidence from animal and in vitro models of the protective effects of caffeine in Alzheimer’s disease. The suggested mechanisms through which caffeine may protect neurons against Alzheimer’s disease pathology include the facilitation of beta-amyloid clearance, upregulation of cholinergic transmission, and increased neuronal plasticit
Arch. Clin. Psychiatry (São Paulo). Publicado em: 2015-06