scholarly journals Trends in In Silico Approaches to the Prediction of Biologically Active Peptides in Meat and Meat Products as an Important Factor for Preventing Food-Related Chronic Diseases

2021 ◽  
Vol 11 (23) ◽  
pp. 11236
Author(s):  
Paulina Kęska ◽  
Waldemar Gustaw ◽  
Joanna Stadnik
Keyword(s):  
Chronic Diseases ◽  
Research Methods ◽  
In Silico ◽  
Meat Products ◽  
Biologically Active ◽  
Research Areas ◽  
New Research ◽  
The Impact

The increasing awareness of modern consumers regarding the nutritional and health value of food has changed their preferences, as well their requirements, for food products, including meat and meat products. Expanding the knowledge on the impact of food on human health is currently one of the most important research areas for scientists worldwide, and it is also of interest to consumers who want to consciously compose their daily diets. New research methods, such as in silico techniques, offer solutions to these new challenges. These research methods are preferred over food evaluation, e.g., from meat, because of their advantages, such as low costs, shorter analysis times, and general availability (e.g., online databases), and are often used to design in vitro and, subsequently, in vivo tests. This review focuses on the possible use of in silico computerized methods to assess the potential of food as a source of these health-relevant biomolecules by using examples from the literature on meat and meat products. This review also provides information and important suggestions for analyzing peptides in terms of assessing their best sources, and screening those resistant to digestive factors and that show biological activity. The information provided in this review could contribute to the development of new sources of foods as biomolecules important for preventing or treating food-related chronic diseases, such as obesity, hypertension, and diabetes.

scholarly journals Andean Berry (Vaccinium meridionale Swartz) Juice in Combination With Aspirin Modulated Apoptotic Signaling in Colon Cancer In Vitro and In Vivo

2021 ◽  
Vol 5 (Supplement_2) ◽  
pp. 261-261
Author(s):  
Sandra Arango-Varela ◽  
Ivan Luzardo ◽  
Maria Maldonado-Celis
Keyword(s):  
Colorectal Cancer ◽  
Colon Cancer ◽  
In Silico ◽  
Aberrant Crypt Foci ◽  
Apoptotic Signaling ◽  
Polyphenolic Composition ◽  
Apoptotic Effects ◽  
The Impact

Abstract Objectives This research aimed to assess the impact of Andean Berry (Vaccinium meridionale Swartz) juice (ABJ) in combination with Aspirin in the apoptotic signaling in colon cancer in vitro and in vivo. We hypothesized that ABJ + Aspirin would produce the most effective anti-proliferative and pro-apoptotic effects in vitro and in vivo. Methods The polyphenolic composition of ABJ was carried out by HPLC-DAD. ABJ (0–30% v/v), Aspirin (0–20 mM), and their mixture were evaluated for their pro-apoptotic effects in human SW480 colorectal cancer cells, followed by human apoptosis proteomic and bioinformatic analysis and in silico docking potential between ABJ components and selected pro-apoptotic targets. For the in vivo assays, colorectal cancer was induced with two injections (separated 1 week each) of azoxymethane (AOM: 15 mg/kg body weight, BW), and treatments were evaluated for its chemopreventive and chemoprotective effects. Hence, 30 male and female Balb/c mice were randomly divided in 5 groups: negative control (basal diet, BD); and four AOM-induced groups: positive control (BD), Aspirin (25 mg/kg BW + BD), ABJ (30% v/v in drinking water ABJ + BD), and ABJ + Aspirin (30% v/v ABJ + 25 mg/kg BW Aspirin + BD). Macroscopic and histopathological parameters were evaluated in vivo. Results The mixture displayed the highest antiproliferative effects (+46%), arrested cell cycle at the G2/M phase, decreased cloning efficiency, but reduced Caspase 3/7 activity, suggesting an alternative apoptotic pathway, compared to untreated SW480 cells. Several pro-apoptotic (cytochrome C, TNFRSF1A, Bax, and Bad) and anti-apoptotic (Hsp70/Hsp32) proteins were decreased. ABJ flavonoids (rutin and kaempferol) exhibited the highest in silico affinity with proteins like TRAILR2 or Catalase. Both chemopreventive and chemoprotective approaches showed similar body/liver weight outcomes, but the mixture displayed the strongest aberrant crypt foci reduction in vivo. The chemopreventive approach was more effective in protecting the colon from AOM. Conclusions Results suggested the potential of ABJ to reduce Aspirin use in the alleviation of colorectal cancer markers in vitro and in vivo, modulating alternate pro-apoptotic signaling. Funding Sources The funding provided by COLCIENCIAS and DGAPA-CTIC-UNAM is appreciated.

scholarly journals Leishmania Proteomics: An in Silico Perspective

2020 ◽  
Author(s):  
Carlos A. Padilla ◽  
María J. Álvarez ◽  
Aldo F. Combariza
Keyword(s):  
Geographical Distribution ◽  
In Silico ◽  
Chemical Species ◽  
Biologically Active ◽  
Infectious Episode ◽  
Protein Activation ◽  
Enzymatic Function ◽  
Active Chemical

We report on the state of the art of scientific literature about proteins recognized as potential targets for the development of Leishmania treatments through the search of biologically active chemical species, either from experimental in vitro, in vivo, or in silico sources. We classify the gathered information, in several ways: vector taxonomy and geographical distribution, parasite taxonomic and geographical distribution and enzymatic function (oxidoreductases, transferases, hydrolases, lyases, isomerases, ligases and cytokines). Our aim is to provide a much needed reference layout for research efforts aimed to understand the underpinning physical interactions in ligand-protein activation/inactivation processes. In the specific case of Leishmania, we focus on enzymes known to be part of the biochemical molecular processes initiated following a Leishmania infectious episode.

scholarly journals Pomegranate as a natural source of phenolic antioxidants

2020 ◽  
Vol 9 ◽  
Author(s):  
Fellipe Lopes De Oliveira ◽  
Thaise Yanka Portes Arruda ◽  
Renan Da Silva Lima ◽  
Sabrina Neves Casarotti ◽  
Maressa Caldeira Morzelle
Keyword(s):  
Antioxidant Activity ◽  
Chronic Diseases ◽  
Biological Effects ◽  
Meat Products ◽  
Phenolic Antioxidants ◽  
Antioxidant Compounds ◽  
Health Promoting

Pomegranate, a recognized source of phenolic compounds, has been associated with health-promoting benefits, mostly due to its antioxidant activity. Ellagic and gallic acids, anthocyanins, and ellagitannins are the main phenolics in pomegranate, showing antioxidant activity. For this reason, pomegranate has been used in foods, such as meat products, as an attempt to retard lipid oxidation and increase shelf-life. In recent years, in vitro, in vivo, and human studies reported the antioxidant activity of pomegranate, especially its peels, with reduced incidence of chronic diseases (e.g., cardiovascular ailments, cancer, neurodegenerative disease, type 2 diabetes, chronic kidney disease). This review aims to present the main antioxidant compounds on pomegranate and their biological effects, the antioxidant activity of pomegranate-based foods, the application of pomegranate as a natural antioxidant food additive, the role of pomegranate in the prevention and management of chronic diseases, as well as the trends and prospects regarding the application of pomegranate in innovative food and health.

scholarly journals Leishmania Proteomics: An in Silico Perspective

2019 ◽  
Author(s):  
Carlos A. Padilla ◽  
Maria J. Alvarez ◽  
Aldo Combariza
Keyword(s):  
Geographical Distribution ◽  
In Silico ◽  
Chemical Species ◽  
Cascade Reactions ◽  
Biologically Active ◽  
Infectious Episode ◽  
Protein Activation ◽  
Enzymatic Function

We report on the state of the art of proteins recognized as potential targets for the development of leishmania treatments through the search of biologically active chemical species, either from experimental in vitro, in vivo, or in silico sources.  We classify the gathered information, in several ways: vector taxonomy and geographical distribution, leishmania parasite taxonomic and geographical distribution and enzymatic function (oxidoreductases, transferases, hydrolases, lyases, isomerases, ligases and cytokines). Our aim is to provide a much needed reference layout for research efforts aimed to understand the background of ligand-protein activation/inactivation processes, in this specific case, related with enzymes known to be part of biochemical cascade reactions initiated following a leishmania infectious episode.

scholarly journals Probing the Impact of Ligand Binding on the Acyl-Homoserine Lactone-Hindered Transcription Factor EsaR of Pantoea stewartii subsp. stewartii

2011 ◽  
Vol 193 (22) ◽  
pp. 6315-6322 ◽  
Author(s):  
Daniel J. Schu ◽  
Revathy Ramachandran ◽  
Jared S. Geissinger ◽  
Ann M. Stevens
Keyword(s):  
Conformational Changes ◽  
Homoserine Lactone ◽  
Biologically Active ◽  
Acyl Homoserine Lactone ◽  
Content Type ◽  
Pantoea Stewartii ◽  
Cell Densities ◽  
The Impact

The quorum-sensing regulator EsaR fromPantoea stewartiisubsp.stewartiiis a LuxR homologue that is inactivated by acyl-homoserine lactone (AHL). In the corn pathogenP. stewartii, production of exopolysaccharide (EPS) is repressed by EsaR at low cell densities. However, at high cell densities when high concentrations of its cognate AHL signal are present, EsaR is inactivated and derepression of EPS production occurs. Thus, EsaR responds to AHL in a manner opposite to that of most LuxR family members. Depending on the position of its binding site within target promoters, EsaR serves as either a repressor or activator in the absence rather than in the presence of its AHL ligand. The effect of AHL on LuxR homologues has been difficult to studyin vitrobecause AHL is required for purification and stability. EsaR, however, can be purified without AHL enabling anin vitroanalysis of the response of the protein to ligand. Western immunoblots and pulse-chase experiments demonstrated that EsaR is stablein vivoin the absence or presence of AHL. Limitedin vitroproteolytic digestions of a biologically active His-MBP tagged version of EsaR highlighted intradomain and interdomain conformational changes that occur in the protein in response to AHL. Gel filtration chromatography of the full-length fusion protein and cross-linking of the N-terminal domain both suggest that this conformational change does not impact the multimeric state of the protein. These findings provide greater insight into the diverse mechanisms for AHL responsiveness found within the LuxR family.

scholarly journals The Efficacy of Black Chokeberry Fruits against Cardiovascular Diseases

2021 ◽  
Vol 22 (12) ◽  
pp. 6541
Author(s):  
Kamila Kasprzak-Drozd ◽  
Tomasz Oniszczuk ◽  
Jakub Soja ◽  
Marek Gancarz ◽  
Karolina Wojtunik-Kulesza ◽  
...  
Keyword(s):  
Cardiovascular Diseases ◽  
Fruits And Vegetables ◽  
Biologically Active ◽  
In Vivo Studies ◽  
Ldl Oxidation ◽  
Plasma Antioxidant Capacity ◽  
Black Chokeberry ◽  
The Impact

Epidemiological studies have emphasized the association between a diet rich in fruits and vegetables and a lower frequency of occurrence of inflammatory-related disorders. Black chokeberry (Aronia melanocarpa L.) is a valuable source of biologically active compounds that have been widely investigated for their role in health promotion and cardiovascular disease prevention. Many in vitro and in vivo studies have demonstrated that consumption of these fruits is associated with significant improvements in hypertension, LDL oxidation, lipid peroxidation, total plasma antioxidant capacity and dyslipidemia. The mechanisms for these beneficial effects include upregulation of endothelial nitric oxide synthase, decreased oxidative stress, and inhibition of inflammatory gene expression. Collected findings support the recommendation of such berries as an essential fruit group in a heart-healthy diet. The aim of this review was to summarize the reports on the impact of black chokeberry fruits and extracts against several cardiovascular diseases, e.g., hyperlipidemia, hypercholesterolemia, hypertension, as well as to provide an analysis of the antioxidant and anti-inflammatory effect of these fruits in the abovementioned disorders.

Harnessing tumor immunity with chemotherapy: Mathematical modeling for decision-making in combinatorial regimen with immune-oncology drugs.

2020 ◽  
Vol 38 (15_suppl) ◽  
pp. e14095-e14095
Author(s):  
Vesna Cuplov ◽  
Guillaume Sicard ◽  
Dominique Barbolosi ◽  
Joseph Ciccolini ◽  
Fabrice Barlesi
Keyword(s):  
Mathematical Modeling ◽  
T Cells ◽  
In Silico ◽  
Checkpoint Inhibitors ◽  
Cytotoxic T Cells ◽  
Model Parameters ◽  
In Vivo Experiments ◽  
The Impact

e14095 Background: Combining chemotherapy and immune checkpoint inhibitors (ICI) is challenging due to the near-infinite choice of dosing, scheduling and sequencing between drugs. The aim of this work is to develop a phenomenological model that describes the synergistic effect between cytotoxics and immune check point inhibitors in patients with cancer. Methods: Inspired from literature, we have developed an integrative mathematical model that includes tumor cells, cytotoxic T cells (CTLs) and regulatory T cells (TREGs) plus pharmacokinetics (PK) inputs. Loss in tumor mass is due to combined effect of direct chemotherapy-induced cytotoxicity and CTLs immune response, which is in turn inhibited by the tumor and mitigated by TREGs in the tumor micro-environment. The model describes as well the impact of chemotherapy-induced lymphodepletion on immune tolerance, whereas ICIs protect CTLs against tumor inhibition. Identification of model’s parameters and simulations of various scheduling were performed using Mlxplore software and a Python standalone code. In vitro and in vivo experiments using lung cancer models generate experimental data to adjust model parameters. Results: Complex interplays between cytotoxics and immune cells were best described by a 10-parameters model so as to ensure better identifiability. PK/PD relationships were integrated using compartmental modeling. In silico simulations show how changes in dosing and scheduling impact efficacy endpoints, an observation in line with data from the literature. Ongoing in vitro and in vivo experiments with pemetrexed-cisplatin doublet and anti-PD1 pembrolizumab help optimizing the model’s parameters in a self-learning loop. Conclusions: This work is at the frontier between mathematical modeling and experimental therapeutics with ICIs. In silico modeling and simulations could help narrow down the treatment choices and define optimal combinations prior to running clinical trials. Such model will help identify optimal dosing and scheduling, so as to achieve better synergism and efficacy.

scholarly journals Modelling the impact of clot fragmentation on the microcirculation after thrombectomy

2021 ◽  
Vol 17 (3) ◽  
pp. e1008515
Author(s):  
Wahbi K. El-Bouri ◽  
Andrew MacGowan ◽  
Tamás I. Józsa ◽  
Matthew J. Gounis ◽  
Stephen J. Payne
Keyword(s):  
Blood Flow ◽  
In Silico ◽  
In Vitro Experiments ◽  
Coupling Coefficients ◽  
Flow Parameters ◽  
Mechanical Removal ◽  
Brain Microvasculature ◽  
The Impact

Many ischaemic stroke patients who have a mechanical removal of their clot (thrombectomy) do not get reperfusion of tissue despite the thrombus being removed. One hypothesis for this ‘no-reperfusion’ phenomenon is micro-emboli fragmenting off the large clot during thrombectomy and occluding smaller blood vessels downstream of the clot location. This is impossible to observe in-vivo and so we here develop an in-silico model based on in-vitro experiments to model the effect of micro-emboli on brain tissue. Through in-vitro experiments we obtain, under a variety of clot consistencies and thrombectomy techniques, micro-emboli distributions post-thrombectomy. Blood flow through the microcirculation is modelled for statistically accurate voxels of brain microvasculature including penetrating arterioles and capillary beds. A novel micro-emboli algorithm, informed by the experimental data, is used to simulate the impact of micro-emboli successively entering the penetrating arterioles and the capillary bed. Scaled-up blood flow parameters–permeability and coupling coefficients–are calculated under various conditions. We find that capillary beds are more susceptible to occlusions than the penetrating arterioles with a 4x greater drop in permeability per volume of vessel occluded. Individual microvascular geometries determine robustness to micro-emboli. Hard clot fragmentation leads to larger micro-emboli and larger drops in blood flow for a given number of micro-emboli. Thrombectomy technique has a large impact on clot fragmentation and hence occlusions in the microvasculature. As such, in-silico modelling of mechanical thrombectomy predicts that clot specific factors, interventional technique, and microvascular geometry strongly influence reperfusion of the brain. Micro-emboli are likely contributory to the phenomenon of no-reperfusion following successful removal of a major clot.

scholarly journals Leishmania Proteomics: An in Silico Perspective

2019 ◽  
Author(s):  
Carlos A. Padilla ◽  
Maria J. Alvarez ◽  
Aldo F. Combariza
Keyword(s):  
Geographical Distribution ◽  
In Silico ◽  
Chemical Species ◽  
Cascade Reactions ◽  
Biologically Active ◽  
Infectious Episode ◽  
Protein Activation ◽  
Enzymatic Function

We report on the state of the art of proteins recognized as potential targets for the development of leishmania treatments through the search of biologically active chemical species, either from experimental in vitro, in vivo, or in silico sources.  We classify the gathered information, in several ways: vector taxonomy and geographical distribution, leishmania parasite taxonomic and geographical distribution and enzymatic function (oxidoreductases, transferases, hydrolases, lyases, isomerases, ligases and cytokines). Our aim is to provide a much needed reference layout for research efforts aimed to understand the background of ligand-protein activation/inactivation processes, in this specific case, related with enzymes known to be part of biochemical cascade reactions initiated following a leishmania infectious episode.

Sign in / Sign up

Export Citation Format

Share Document