Search results for: Sinethemba Yakobi

Authors: Sinethemba Yakobi, Lindiwe Zuma, Ofentse Pooe

Abstract:

Gonococcal infections present a notable public health issue, and the major approach for treatment involves using β-lactam antibiotics that specifically target penicillin-binding protein 2 (PBP2) in Neisseria gonorrhoeae. This study examines the influence of flavonoids, namely rutin, on the structural changes of PBP2 in both penicillin-resistant (FA6140) and penicillin-susceptible (FA19) strains. The research clarifies the structural effects of particular mutations, such as inserting an aspartate residue at position 345 (Asp-345a) in the PBP2 protein. The strain FA6140, which is resistant to penicillin, shows specific changes that lead to a decrease in penicillin binding. These mutations, namely P551S and F504L, significantly impact the pace at which acylation occurs and the stability of the strain under high temperatures. Molecular docking analyses investigate the antibacterial activities of rutin and other phytocompounds, emphasizing its exceptional binding affinity and potential as an inhibitor of PBP2. Quercetin and protocatechuic acid have encouraging antibacterial effectiveness, with quercetin displaying characteristics similar to those of drugs. Molecular dynamics simulations offer a detailed comprehension of the interactions between flavonoids and PBP2, highlighting rutin's exceptional antioxidant effects and strong affinity for the substrate binding site. The study's wider ramifications pertain to the pressing requirement for antiviral treatments in the context of the ongoing COVID-19 epidemic. Flavonoids have a strong affinity for binding to PBP2, indicating their potential as inhibitors to impair cell wall formation in N. gonorrhoeae. Ultimately, this study provides extensive knowledge on the interactions between proteins and ligands, the dynamics of the structure, and the ability of flavonoids to combat penicillin-resistant N. gonorrhoeae bacteria. The verified simulation outcomes establish a basis for creating potent inhibitors and medicinal therapies to combat infectious illnesses.

Keywords: phytochemicals, penicillin-binding protein 2, gonococcal infection, ligand-protein interaction, binding energy, neisseria gonorrhoeae FA19, neisseria gonorrhoeae FA6140, flavonoids

Procedia PDF Downloads 18

Authors: Mitra Bahri, Jean Leopold Kabambi, Jacqueline Yakobi-Hancock, William Render, Stephanie So

Abstract:

Reducing formaldehyde concentration in residential buildings is an important challenge, especially during the summer. In this study, a ceiling tile was used as a sorptive passive panel for formaldehyde removal. The performance of this passive panel was evaluated under different environmental conditions. The results demonstrated that the removal efficiency is comprised between 40% and 71%. Change in the level of relative humidity (30%, 50%, and 75%) had a slight positive effect on the sorption capacity. However, increase in temperature from 21 °C to 26 °C led to approximately 7% decrease in the average formaldehyde removal performance. GC/MS and HPLC analysis revealed the formation of different by-products at low concentrations under extreme environmental conditions. These findings suggest that the passive panel selected for this study holds the potential to be used for formaldehyde removal under various conditions.

Keywords: formaldehyde, indoor air quality, passive panel, removal efficiency, sorption

Procedia PDF Downloads 170