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"Santana, Luz"
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In vitro and molecular modeling insights into α-amylase inhibition by tamarind seed-derived trypsin inhibitor: Implications for hyperglycemic control
Inhibitors of enzymes involved in carbohydrate digestion may be a potential option for glycemic control in Diabetes Mellitus. This study aimed to evaluate the effect of the trypsin inhibitor isolated from tamarind seed ( Tamarindus indica L.) (TTI) on α-amylase. After confirmation of the obtaining and characterization of the TTI, the in vitro inhibitory activity of the TTI against α-amylase was analyzed. The interaction of the modeled structures’ theoretical TTI (TTIp 56/287) and five of its derived peptides with α-amylase was also evaluated in silico using Docking and Molecular Dynamics, and their functional properties were examined. The Interaction Potential Energy (IPE) and the main interactions of the peptide-α-amylase complex were described using three-dimensional representations. TTI presented 100% antitryptic activity and a molecular mass of approximately 21 kDa. In vitro, inhibition of α-amylase was higher than 37%. These results were corroborated by computational analyses, which demonstrated strong interaction between the TTIp 56/287 complex and its peptides with the enzyme. The Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF) analyses showed good stability. IPE was −705.08 kJ/mol for DTVHDTDGQVPL and −584.11 kJ/mol for TIAPACAPKPAR. Electrostatic interactions stand out, especially the salt bridge, between the main residues that interacted in the complexes (DTVHDTDGQVPL, TIAPACAPKPAR, and TVSQTPIDIPIGLPVR). Additionally, the bioactive potential predicted two candidates with good stability, a long half-life, and bioactivity in an intestinal simulation environment. This is the first report of tamarind trypsin inhibitor or its peptides inhibiting α-amylase. Thus, the amino acid sequences DTVHDTDGQVPL and TIAPACAPKPAR were revealed as candidates that could be tested for action against α-amylase and possibly for glycemic control.
Journal Article
Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed
Bacterial infections have become a global concern, stimulating the growing demand for natural and biologically safe therapeutic agents with antibacterial action. This study was evaluated the genotoxicity of the trypsin inhibitor isolated from tamarind seeds (TTI) and the antibacterial effect of TTI theoric model, number 56, and conformation number 287 (TTIp 56/287) and derived peptides in silico. TTI (0.3 and 0.6 mg.mL
−1
) did not cause genotoxicity in cells (p > 0.05). In silico, a greater interaction of TTIp 56/287 with the Gram-positive membrane (GP) was observed, with an interaction potential energy (IPE) of −1094.97 kcal.mol
−1
. In the TTIp 56/287-GP interaction, the Arginine, Threonine (Thr), and Lysine residues presented lower IPE. In molecular dynamics (MD), Peptidotrychyme59 (TVSQTPIDIPIGLPVR) showed an IPE of −518.08 kcal.mol
−1
with the membrane of GP bacteria, and the Thr and Arginine residues showed the greater IPE. The results highlight new perspectives on TTI and its derived peptides antibacterial activity.
Journal Article
Adipocytes and intestinal epithelium dysfunctions linking obesity to inflammation induced by high glycemic index pellet-diet in Wistar rats
We investigated the inflammatory effect of a pellet-diet with high glycemic index and load (HGLI) on the histological organization of adipocytes, intestinal epithelium, and fat in liver and pancreas in adult male Wistar rats. Two groups (n=10) received for 17 weeks: (1) HGLI diet or (2) Standard diet (Labina®). Histological analyses of adipose tissue, jejunum, liver, and pancreas were performed. Stereology analysis, visceral adiposity index, gene expression, and immunohistochemistry of tumor necrosis factor-α (TNF-α) in visceral adipose tissue and plasma TNF-α were also assessed. The HGLI diet-induced hypertrophy of adipocytes with adipocyte volume density equal to 97.0%, cross-sectional area of adipocytes equivalent to 1387 µm² and a total volume of adipocytes of 6.97 cm³ an elevation of 8%, 25%, and 58%, respectively. Furthermore, the HGLI diet increased liver and pancreatic fat deposition, altered and inflamed the intestinal epithelia, and increased TNF-α gene expression (P=0.014) with a positive immunostaining in visceral adipose tissue and high plasma TNF-α in comparison with standard diet. The results suggest that this diet was able to generate changes commonly caused to solid diets with high fat or fructose-rich beverages. To the best of our knowledge, this is the first report in the literature concerning the properties of low-cost, sucrose-rich pellet-diet presenting high glycemic index and high glycemic load efficient on the development of obesity complications in Wistar rats that were subjected to diet-induced obesity. Therefore, the HGLI pellet-diet may be considered an effective tool to be used by the scientific community in experimental research.
Journal Article
Experimental Protocols Used to Mimic Gastrointestinal Protein Digestion: A Systematic Review
Bioactive peptides derived from native proteins modulate physiological processes in the metabolic pathways. Given that multiple protocols in the literature mimic the digestion of dietary components, gathering studies that use such models directed at protein digestion processes is critical. This systematic review aimed to gather evidence that adopted adequate experimental models to simulate human protein digestion. The databases searched were PubMed, Web of Science, ScienceDirect, Embase, Virtual Health Library, and Scopus. A total of 1985 articles were found, resulting in 20 eligible in vitro studies. The Office of Health Assessment and Translation was used to evaluate methodological quality. Seven studies used plant-based protein sources, twelve used animal protein sources, and one used both. The duration of the oral phase varied, although 60% of the studies employed a protein digestion period of 120 min. Amylase, pepsin, and pancreatin enzymes were utilized in 40% of the studies, with pH levels of 7, 3, and 7, respectively, during the oral, gastric, and intestinal phases. The INFOGEST harmonized static model was adopted by 65% of the studies; INFOGEST is the most effective model for simulating gastrointestinal protein processes in humans and can be used to answer several research questions because it describes experimental conditions close to the human physiological situation.
Journal Article
Neonatal supraventricular extrasystole as early clinical debut of cardiac rhabdomyoma
We are reporting the case of a newborn with a diagnosis of frequent supraventricular extrasystoles, up to 25% of beats at Holter monitoring, and partial response to beta-blockers. Initial echocardiographic studies were normal until the identification of a right atrial mass at 4 months of life. Given the progressive growth of the mass and the suspicion of myxoma or thrombus in the magnetic resonance study, surgical resection of the tumor was performed. The surgical specimen was histologically diagnostic of rhabdomyoma. Currently, the patient remains asymptomatic after a 6-year follow-up period. A single rhabdomyoma is described, located in an atypical situation, near the crista terminalis, and diagnosed from frequent extrasystoles which appeared before the echocardiographic resolution was able to identify it. Magnetic resonance showed nondiagnostic tissue enhancement characteristics.
Journal Article
Machine Learning Algorithm for Predicting Warfarin Dose in Caribbean Hispanics Using Pharmacogenetic Data
Despite some previous examples of successful application to the field of pharmacogenomics, the utility of machine learning (ML) techniques for warfarin dose predictions in Caribbean Hispanic patients has yet to be fully evaluated. This study compares seven ML methods to predict warfarin dosing in Caribbean Hispanics. This is a secondary analysis of genetic and non-genetic clinical data from 190 cardiovascular Hispanic patients. Seven ML algorithms were applied to the data. Data was divided into 80 and 20% to be used as training and test sets. ML algorithms were trained with the training set to obtain the models. Model performance was determined by computing the corresponding mean absolute error (MAE) and % patients whose predicted optimal dose were within ±20% of the actual stabilization dose, and then compared between groups of patients with \"normal\" (i.e., > 21 but <49 mg/week), low (i.e., ≤21 mg/week, \"sensitive\"), and high (i.e., ≥49 mg/week, \"resistant\") dose requirements. Random forest regression (RFR) significantly outperform all other methods, with a MAE of 4.73 mg/week and 80.56% of cases within ±20% of the actual stabilization dose. Among those with \"normal\" dose requirements, RFR performance is also better than the rest of models (MAE = 2.91 mg/week). In the \"sensitive\" group, support vector regression (SVR) shows superiority over the others with lower MAE of 4.79 mg/week. Finally, multivariate adaptive splines (MARS) shows the best performance in the resistant group (MAE = 7.22 mg/week) and 66.7% of predictions within ±20%. Models generated by using RFR, MARS, and SVR algorithms showed significantly better predictions of weekly warfarin dosing in the studied cohorts than other algorithms. Better performance of the ML models for patients with \"normal,\" \"sensitive,\" and \"resistant\" to warfarin were obtained when compared to other populations and previous statistical models.
Journal Article
In vitro and molecular modeling insights into alpha-amylase inhibition by tamarind seed-derived trypsin inhibitor: Implications for hyperglycemic control
Inhibitors of enzymes involved in carbohydrate digestion may be a potential option for glycemic control in Diabetes Mellitus. This study aimed to evaluate the effect of the trypsin inhibitor isolated from tamarind seed (Tamarindus indica L.) (TTI) on [alpha]-amylase. After confirmation of the obtaining and characterization of the TTI, the in vitro inhibitory activity of the TTI against [alpha]-amylase was analyzed. The interaction of the modeled structures' theoretical TTI (TTIp 56/287) and five of its derived peptides with [alpha]-amylase was also evaluated in silico using Docking and Molecular Dynamics, and their functional properties were examined. The Interaction Potential Energy (IPE) and the main interactions of the peptide-[alpha]-amylase complex were described using three-dimensional representations. TTI presented 100% antitryptic activity and a molecular mass of approximately 21 kDa. In vitro, inhibition of [alpha]-amylase was higher than 37%. These results were corroborated by computational analyses, which demonstrated strong interaction between the TTIp 56/287 complex and its peptides with the enzyme. The Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF) analyses showed good stability. IPE was -705.08 kJ/mol for DTVHDTDGQVPL and -584.11 kJ/mol for TIAPACAPKPAR. Electrostatic interactions stand out, especially the salt bridge, between the main residues that interacted in the complexes (DTVHDTDGQVPL, TIAPACAPKPAR, and TVSQTPIDIPIGLPVR). Additionally, the bioactive potential predicted two candidates with good stability, a long half-life, and bioactivity in an intestinal simulation environment. This is the first report of tamarind trypsin inhibitor or its peptides inhibiting [alpha]-amylase. Thus, the amino acid sequences DTVHDTDGQVPL and TIAPACAPKPAR were revealed as candidates that could be tested for action against [alpha]-amylase and possibly for glycemic control.
Journal Article
Evaluation of a Patient Activation and Empowerment Intervention in Mental Health Care
Background: Evidence suggests that minority populations have lower levels of attendance and retention in mental health care than non-Latino whites. Patient activation and empowerment interventions may be effective in increasing minority patients' attendance and retention. Objectives: This study developed and evaluated a patient self-reported activation and empowerment strategy in mental health care. Research Design: The Right Question Project-Mental Health (RQPMH) trainings consisted of 3 individual sessions using a pre/post test comparison group design with patients from 2 community mental health clinics. The RQP-MH intervention taught participants to identify questions that would help them consider their role, process and reasons behind a decision; and empowerment strategies to better manage their care. Subjects: A total of 231 participated, completing at least the pretest interview (n = 141 intervention site, 90 comparison site). Measures: Four main outcomes were linked to the intervention: changes in self-reported patient activation; changes in self-reported patient empowerment; treatment attendance; and retention in treatment. Results: Findings show that intervention participants were over twice as likely to be retained in treatment and over 3 times more likely than comparison participants to have scheduled at least 1 visit during the 6-month follow-up period. Similarly, intervention participants demonstrated 29% more attendance to scheduled visits than comparison patients. There was no evidence of an effect on selfreported patient empowerment, only on self-reported patient activation. Conclusions: Results demonstrate the intervention's potential to increase self-reported patient activation, retention, and attendance in mental health care for minority populations. By facilitating patientprovider communication, the RQP-MH intervention may help minorities effectively participate in mental health care.
Journal Article
Neonatal supraventricular extrasystole as early clinical debut of cardiac rhabdomyoma
We are reporting the case of a newborn with a diagnosis of frequent supraventricular extrasystoles, up to 25 of beats at Holter monitoring, and partial response to beta-blockers. Initial echocardiographic studies were normal until the identification of a right atrial mass at 4 months of life. Given the progressive growth of the mass and the suspicion of myxoma or thrombus in the magnetic resonance study, surgical resection of the tumor was performed. The surgical specimen was histologically diagnostic of rhabdomyoma. Currently, the patient remains asymptomatic after a 6-year follow-up period. A single rhabdomyoma is described, located in an atypical situation, near the crista terminalis, and diagnosed from frequent extrasystoles which appeared before the echocardiographic resolution was able to identify it. Magnetic resonance showed nondiagnostic tissue enhancement characteristics.
Journal Article