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1.
Toxicol Rep ; 11: 58-82, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37416859

RESUMO

This study aims at computing the pooled mean estimate (PME) and health risks of heavy metals in seafood obtained from the Niger Delta Region of Nigeria (NDRN), using data from existing literatures. Pubmed, Scopus and Google Scholar were searched to retrieve articles that investigated the heavy metal contents of edible seafood from the NDRN. Search hits were screened against predetermined criteria following which relevant data were extracted from eligible articles. The PME for each metal was computed by performing a maximum likelihood random effect model meta-analysis using the R Studio Software. Outcome from the meta-analysis involving 58 studies and a total of 2983 seafood samples revealed the following PMEs (mg/kg dry wt seafood) for the investigated heavy metals: As (0.777), Cd (0.985), Co (4.039), Cr (2.26), Cu (11.45), Fe (143.39), Hg (0.0058), Mn (13.56), Ni (5.26), Pb (4.35), and Zn (29.32). The health risk assessment suggests that seafood from this region poses considerable carcinogenic and non-carcinogenic risks to human consumers. Our finding calls for urgent actions aimed at identifying and eliminating point sources of heavy metals pollution of the NDRN marine environment. Inhabitants of NDRN are encouraged to reduce seafood consumption while diversifying their protein sources to include non-seafood options.

2.
Molecules ; 27(15)2022 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-35956977

RESUMO

Green chemistry approaches, such as lipase-catalyzed esterification, are promising methods for obtaining valuable chemical compounds. In the case of the use of lipases, unlike in aqueous environments, the processes of the ester bond formations are encountered in organic solvents. The aim of the current research was to carry out the lipase-catalyzed synthesis of an ester of dihydrocaffeic acid. The synthesized compound was then evaluated for antioxidant and antimicrobial activities. However, the vast majority of its antioxidant activity was retained, which was demonstrated by means of DPPH· (2,2-diphenyl-1-picrylhydrazyl) and CUPRAC (cupric ion reducing antioxidant capacity) methods. Regarding its antimicrobial properties, the antifungal activity against Rhizopus oryzae is worth mentioning. The minimum inhibitory and fungicidal concentrations were 1 and 2 mM, respectively. The high antifungal activity prompted the use of molecular docking studies to verify potential protein targets for butyl ester of dihydrocaffeic ester. In the case of one fungal protein, namely 14-α sterol demethylase B, it was observed that the ester had comparable binding energy to the triazole medication, isavuconazole, but the interacted amino acid residues were different.


Assuntos
Anti-Infecciosos , Lipase , Anti-Infecciosos/farmacologia , Antifúngicos/farmacologia , Antioxidantes/química , Catálise , Esterificação , Ésteres/química , Lipase/química , Simulação de Acoplamento Molecular
3.
Biochem Biophys Rep ; 28: 101178, 2021 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-34901473

RESUMO

Dengue has become a huge global health burden. It is currently recognized as the most rapidly spreading mosquito-borne viral disease. Yet, there are currently no licensed vaccines or specific therapeutics to manage the virus, thus, scaling up vector control approaches is important in controlling this viral spread. This study aimed to identify and study in silico, potential anti-mosquito compounds targeting Juvenile hormone (JH) mediated pathways via the Mosquito Juvenile Hormone Binding Protein (MJHBP). The study was implemented using series of computational methods. The query compounds included pyrethroids and those derived from ZINC and ANPDB databases using a simple pharmacophore model in Molecular Operating Environment (MOE). Molecular docking of selected compounds' library was implemented in MOE. The resultant high-score compounds were further validated by molecular dynamics simulation via Maestro 12.3 module and the respective Prime/Molecular Mechanics Generalized Born Surface Area (Prime/MM-GBSA) binding energies computed. The study identified compounds-pyrethroids, natural and synthetic - with high docking energy scores (ranging from 10.91-12.34 kcal/mol). On further analysis of the high-ranking (in terms of docking scores) compounds using MD simulation, the compounds - Ekeberin D4, Maesanin, Silafluofen and ZINC16919139- revealed very low binding energies (-122.99, -72.91 -104.50 and,-74.94 kcal/mol respectively), fairly stable complex and interesting interaction with JH-binding site amino acid residues on MJHBP. Further studies can explore these compounds in vitro/in vivo in the search for more efficient mosquito vector control.

4.
Cardiovasc J Afr ; 28(2): 92-99, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-27701484

RESUMO

BACKGROUND: Obesity is a well-established independent risk factor for hypertension and other cardiometabolic disorders. However, the best anthropometric index of obesity that predicts or associates strongly with hypertension and related conditions remains controversial and inconclusive. OBJECTIVE: This study compared the performance of eight anthropometric indices of obesity: body mass index (BMI), ponderal index (PI), waist circumference (WC), hip circumference (HC), waist-hip ratio (WHR), waist-height ratio (WHtR), body adiposity index (BAI) and conicity index (CI) as correlates and potential predictors of risk of hypertension and prehypertension in a Nigerian population, and also the possible effect of combining two or more indices in that regard. METHODS: This church-based, cross-sectional study was conducted in Anambra state, south-eastern Nigeria from 2012 to 2013. A total of 912 persons (436 male and 476 female) drawn randomly from three major cities (Awka, Onitsha and Nnewi) in the state participated in the study. Information on demography, medical history and lifestyle were obtained using a well-structured and validated questionnaire. The systolic/diastolic blood pressure and anthropometric measurements were taken by well-trained personnel. The resulting data were analysed using descriptive statistics, logistic regression, Poisson regression and receiver operating characteristic curve analysis. RESULTS: The mean values of all the anthropometric indices studied increased from normotension, through prehypertension to hypertension in both genders. BMI, WC, HC and CI were significantly higher (p < 0.05) in females than males. All the anthropometric indices studied were significantly (p < 0.001 except for CI) correlated with systolic and diastolic blood pressure. BMI, WHtR, WC and PI (with higher correlation coefficients for blood pressure) showed the best potential to predict hypertension and prehypertension in the study: BMI (cut-off = 24.49, AUC = 0.698; cut-off = 23.62, AUC = 0.659), WHtR (cut-off = 0.55, AUC = 0.682; cut-off = 0.5, AUC = 0.636), WC (cut-off = 91.44, AUC = 0.692; cut-off = 82.55, AUC = 0.645), PI (cut-off = 14.45, AUC = 0.670; cut-off = 13.69, AUC = 0.639), in males; and BMI (cut-off = 24.44, AUC = 0.622; cut-off = 28.01, AUC = 0.609), WHtR (cut-off = 0.51, AUC = 0.624; cut-off = 0.6, AUC = 0.572), WC ( cut-off = 96.62, AUC = 0.616; cut-off = 96.52, AUC = 0.584), PI ( cut-off = 16.38, AUC = 0.619; cut-off = 17.65, AUC = 0.599), in females for hypertension and prehypertension, respectively. In predicting hypertension risk, WC and WHtR did not significantly improve the performance of BMI in the models when included using our decision rule. Overall, CI had a very poor discriminatory power for both conditions in this study. CONCLUSION: BMI, WHtR, WC and PI emerged the best predictors of hypertension risk, and BMI, WC and PI of prehypertension risk in this study. The combination of high-performing anthropometric indices in a model did not improve their performance. Therefore we recommend the simultaneous but independent use of BMI and either WC or WHtR for predicting hypertension, and BMI and WC for prehypertension risk, bearing in mind that both types of index (abdominal and general obesity) account for different forms of obesity.


Assuntos
Antropometria/métodos , Pressão Sanguínea , Hipertensão/epidemiologia , Obesidade/diagnóstico , Pré-Hipertensão/epidemiologia , Adiposidade , Adolescente , Adulto , Idoso , Área Sob a Curva , Índice de Massa Corporal , Estudos Transversais , Feminino , Humanos , Hipertensão/diagnóstico , Hipertensão/fisiopatologia , Modelos Logísticos , Masculino , Pessoa de Meia-Idade , Nigéria/epidemiologia , Obesidade/epidemiologia , Obesidade/fisiopatologia , Valor Preditivo dos Testes , Pré-Hipertensão/diagnóstico , Pré-Hipertensão/fisiopatologia , Prevalência , Curva ROC , Medição de Risco , Fatores de Risco , Razão Cintura-Estatura , Relação Cintura-Quadril , Adulto Jovem
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