Alcohol-free synthesis, biological assessment, in vivo toxicological evaluation, and in silico analysis of novel silane quaternary ammonium compounds differing in structure and chain length as promising disinfectants.

Quaternary ammonium compounds (QACs) are commonly used as disinfectants for industrial, medical, and residential applications. However, adverse health outcomes have been reported. Therefore, biocompatible disinfectants must be developed to reduce these adverse effects. In this context, QACs with various alkyl chain lengths (C12-C18) were synthesized by reacting QACs with the counterion silane. The antimicrobial activities of the novel compounds against four strains of microorganisms were assessed. Several in vivo assays were conducted on Drosophila melanogaster to determine the toxicological outcomes of Si-QACs, followed by computational analyses (molecular docking, simulation, and prediction of skin sensitization). The in vivo results were combined using a cheminformatics approach to understand the descriptors responsible for the safety of Si-QAC. Si-QAC-2 was active against all tested bacteria, with minimal inhibitory concentrations ranging from 13.65 to 436.74 ppm. Drosophila exposed to Si-QAC-2 have moderate-to-low toxicological outcomes. The molecular weight, hydrophobicity/lipophilicity, and electron diffraction properties were identified as crucial descriptors for ensuring the safety of the Si-QACs. Furthermore, Si-QAC-2 exhibited good stability and notable antiviral potential with no signs of skin sensitization. Overall, Si-QAC-2 (C14) has the potential to be a novel disinfectant.

Investigation of Fibronectin Binding Protein (FBP) and Panton Valentine Leukocidin (PVL) Viulance Factors in Clinical Methicillin Sensitive and Resistant Staphylococcus Aureus Strains.

BACKGROUND: We aimed to investigate the frequency of fibronectin binding protein (FBP), which is part of the first step of adhesion, and Panton-Valentine leukocidin (PVL) toxin, which contributes to the destruction of host leukocytes and tissue necrosis, in clinical S. aureus strains. METHODS: One hundred S. aureus strains were included in the study and distributed as follows; 33 from skinwound swabs and catheter tips (SWCT), 33 from body fluid and secretion specimens (BSFS) such as tracheal aspirate, sputum, and pleural effusion fluid, 18 from tissue biopsy specimens (TBS), 10 specimens from blood, and related specimens (BRS) such as bone marrow, and cerebral spinal fluid, and six specimens from mucosal membrane of pharynx, nose, and vagina (MMS). Methicillin resistance was tested by disk diffusion method. mecA (methicillin resistance coded gene), pvl and fnbA genes were investigated by using a PCR method. RESULTS: Thirty-seven strains (37.0%) were identified as methicillin resistant S. aureus (MRSA) and 63 (63.0%) as methicillin susceptible S. aureus (MSSA) strains. fnbA was more frequent in S. aureus isolates of MMSs (100.0%); followed by BRSs (80.0%), SWCTs (78.8%), TBS (72.3%), and BSFs (66.7%), whereas pvl gene was more frequent in isolates of BRS (60.0%), followed by TBSs (50.0%), SWCTs (33.4%), BSFs (30.3%), and MMSs (16.7%). fnbA existed in 85.7% of MSSA and 56.8% of MRSA in contrast to pvl, which was more frequent in MRSA (70.3%) than those of MSSA strains (17.4%). These differences were statistically significant (p < 0.05). CONCLUSIONS: Our different clinical specimens contained a high rate of fnbA (75.0%) and low-moderate frequency of pvl (37.0%). fnbA was most frequent in S. aureus of MMSs, followed by BRSs, and SWCTs, whereas pvl was ex-isted in high proportion in S. aureus of BRSs, followed by TBSs, and SWCTs. Presence of PVL in a high proportion in MRSA strains of superfical specimens such SWCT (24.4%) and deeper serious specimens such as BRS (16.3%) compared to MSSA strains from the same specimens, 3.2% and 0%, respectively, have shown that MRSA infections still threatens patients' lives and control of their spread is urgently needed.