RESUMO
The NS2B/NS3 protease is highly conserved among various proteases of the Zika virus, making it an important therapeutic target for developing broad-spectrum antiviral drugs. The NS2B/NS3 protease is a crucial enzyme in the replication cycle of Zika virus and plays a significant role in viral maturation and assembly. Inhibiting the activity of this protease can potentially prevent viral replication, making it an attractive target for developing therapies against Zika virus infection. This work screens 429 antiviral peptides in comparison with substrate peptide against the NS2B/NS3 of Zika virus using molecular docking and molecular dynamics (MD) simulation. Based on the docking screening, MD simulation conducted for the best four peptides including AVP0239, AVP0642, AVP0660, and AVP2044, could be effective against NS2B/NS3. These results were compared with the control substrate peptide. Further analysis indicates that AVP0642 and AVP2044 are the most promising candidates. The interaction analysis showed that the catalytic site residues including His51, Asp75, Ser135 and other non-catalytic residues such as Asp129, Asp83, and Asp79 contribute substantial interactions. Hydrogen bonds (41%) and hydrophobic interactions (33%) are observed as the prominent non-covalent interaction prompting the peptide-protein complex formation. Furthermore, the structure-activity relationship (SAR) illustrates that positively charged (Lys, Arg) residues in the peptides dominate the interactions. This study provides the basis for developing novel peptide-based protease inhibitors for Zika virus.
RESUMO
BACKGROUND: Childhood obesity is found in affluent society, less physical activity and changes in food pattern. This study was designed to see prevalence and risk factors of childhood obesity among school children of Sylhet city. METHODS: Students of class five and six of two schools of Sylhet city were randomly selected. Demographic and anthropometric data were collected and recorded in predesigned data sheet. BMI and percentile were calculated using official centre for disease control growth chart for 2 to 20 years. Logistic regression analysis was done to see association of various factors with childhood obesity. P value of ?0.05 was taken as significant. RESULTS: Total 288 children were included in this study. Age varied from 10 to 14 years. Among them 5.6% and 8.7% were found to be obese and overweight respectively. Obesity was significantly higher among girls (6.8% vs3.6%).Prevalence of obesity and overweight (p=0.001) was more among those who spent less time in physical exercise and outdoor games. Food habit, television watching, computer gaming and duration of sleep were not found as significant predictor of obesity. CONCLUSIONS: Obesity was significantly higher among girls (6.8% vs3.6%). Girls with less physical activity were mainly associated with overweight and obesity.
