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1.
Molecules ; 27(1)2022 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-35011492

RESUMO

Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in the RBD have spread globally. The purpose of this in silico study was to determine the potential of a fruit bromelain-derived peptide. DYGAVNEVK. to inhibit the entry of various SARS-CoV-2 variants into human cells by targeting the hACE binding site within the RBD. Molecular docking analysis revealed that DYGAVNEVK interacts with several critical RBD binding residues responsible for the adhesion of the RBD to hACE2. Moreover, 100 ns MD simulations revealed stable interactions between DYGAVNEVK and RBD variants derived from the trajectory of root-mean-square deviation (RMSD), radius of gyration (Rg), and root-mean-square fluctuation (RMSF) analysis, as well as free binding energy calculations. Overall, our computational results indicate that DYGAVNEVK warrants further investigation as a candidate for preventing SARS-CoV-2 due to its interaction with the RBD of SARS-CoV-2 variants.


Assuntos
Enzima de Conversão de Angiotensina 2 , Bromelaínas , Simulação por Computador , Domínios e Motivos de Interação entre Proteínas , SARS-CoV-2 , Enzima de Conversão de Angiotensina 2/química , Antivirais/química , Antivirais/farmacologia , Bromelaínas/química , Bromelaínas/farmacologia , Modelos Moleculares , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Peptídeos/química , Peptídeos/farmacologia , Ligação Proteica , SARS-CoV-2/química , SARS-CoV-2/efeitos dos fármacos , Glicoproteína da Espícula de Coronavírus/química , Tratamento Farmacológico da COVID-19
2.
ScientificWorldJournal ; 2020: 4303140, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32410906

RESUMO

Smart packaging is a packaging system with embedded sensor or indicator technology, which provides information on the quality of the product, especially perishable foods such as goat milk. One application of smart packaging is to use a time-temperature bioindicator. The purpose of this study was to determine the quality of fresh goat milk during storage at freezing temperatures (-20 ± 2°C) for 31 days and room temperature (25 ± 3°C) for 24 hours using a time-temperature indicator by utilizing a natural dye betacyanin. The method used was descriptive analysis, and the data obtained were processed using the correlation regression test. The samples were observed at freezing temperature every 24 hours and room temperature at 0, 1, 2, 3, 4, 5, 6, 8, 10, and 24 hours. The observation criteria consisted of changes in bioindicator color, milk pH, and total microbes. The results showed that color changes of the bioindicator film at room temperature were more noticeable than at freezing temperature. Based on changes in color of the bioindicator at room temperature, the sample was safe for consumption until the 5th hour with pH 6.51, and the biofilm color characteristics were L∗ = 82.49, a∗ = 21.46, and b∗ = -7.33, but the total number of microbes did not fulfil Indonesian National Standard at the 24th hour, i.e., 1.36 × 106 CFU/ml. At freezing temperatures, fresh goat milk was still safe for consumption until the 31st day with pH 6.51 and total microbe of 1.89 × 105 CFU/ml, and the biofilm color characteristics were L∗ = 80.52, a∗ = 24.15, and b∗ = -7.91. The results of this study concluded that the milk expiration limit based on the betacyanin indicator was 5 hours at room temperature and 31 days at freezing temperature.


Assuntos
Betacianinas , Biomarcadores Ambientais , Manipulação de Alimentos , Cabras , Leite , Temperatura , Fatores de Tempo , Animais , Betacianinas/análise , Betacianinas/isolamento & purificação , Microbiologia de Alimentos , Concentração de Íons de Hidrogênio
3.
Data Brief ; 27: 104681, 2019 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-31720333

RESUMO

This dataset describes the knowledge of local people in North Sulawesi on local edible fruits which can be eaten raw or used as medicine. North Sulawesi is located in the Wallacea zone [1,2] and has a high biodiversity of local fruits that are not yet fully exploited. Fruits are available as rich sources of vitamins, fibres, minerals, and phytochemicals [3] for local people's diet and health. Ethnobotany was used to collect data for the documentation of local knowledge on the existence, the use, and conservation practices of local fruits using semi-structured and structured interviews and questionnaire. There were 27 recorded families of local edible fruits, predominated by Myrtaceae and Anacardiaceae. Some fruits were found abundantly, but some were rarely found, especially those which were endemic to North Sulawesi. The fruit trees were mostly self-grown, and the fruits were eaten by the community themselves. In general, they were well aware of the types of local fruits that could be eaten raw. Knowledge of local fruits were passed on from generation to generation. Most people claimed that local fruits which could be eaten raw were also used for medicine and maintaining health. Most of the local fruits used as medicines were not made as medicinal preparations, but eaten raw or cooked. However, most people did not know exactly about the efficacy of the fruits. Types of diseases that were claimed to be cured by using local fruit among others were sprue, high cholesterol and digestive disorders. The possibility of future youth generations to consume these fruits was very high, according to most people. But they were worried that the younger generation in the future would prefer imported fruits. The community in general knew that these local fruits needed to be conserved, but they did not yet know how to maintain the existence of these local fruits in the future, apart from their current practices.

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