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1.
Int J Mol Sci ; 25(8)2024 Apr 11.
Article in English | MEDLINE | ID: mdl-38673822

ABSTRACT

Complex microbial communities have been reported to be involved in endodontic infections. The microorganisms invade the dental pulp leading to pulpitis and initiating pulp inflammation. Fusobacterium nucleatum is a dominant bacterium implicated in both primary and secondary endodontic infections. Drugs targeting the molecular machinery of F. nucleatum will minimize pulp infection. LpxA and LpxD are early acyltransferases involved in the formation of lipid A, a major component of bacterial membranes. The identification of leads which exhibit preference towards successive enzymes in a single pathway can also prevent the development of bacterial resistance. A stringent screening strategy utilizing physicochemical and pharmacokinetic parameters along with a virtual screening approach identified two compounds, Lomefloxacin and Enoxacin, with good binding affinity towards the early acyltransferases LpxA and LpxD. Lomefloxacin and Enoxacin, members of the fluoroquinolone antibiotic class, exhibit wide-ranging activity against diverse bacterial strains. Nevertheless, their effectiveness in the context of endodontic treatment requires further investigation. This study explored the potential of Lomefloxacin and Enoxacin to manage endodontic infections via computational analysis. Moreover, the compounds identified herein serve as a foundation for devising novel combinatorial libraries with enhanced efficacy for endodontic therapeutic strategies.


Subject(s)
Anti-Bacterial Agents , Fusobacterium nucleatum , Lipopolysaccharides , Fusobacterium nucleatum/drug effects , Fusobacterium nucleatum/metabolism , Humans , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Lipopolysaccharides/metabolism , Molecular Docking Simulation , Computer Simulation , Fusobacterium Infections/drug therapy , Fusobacterium Infections/microbiology , Enoxacin/pharmacology , Bacterial Proteins/metabolism , Pulpitis/drug therapy , Pulpitis/metabolism , Pulpitis/microbiology
2.
Bioinformation ; 20(1): 59-64, 2024.
Article in English | MEDLINE | ID: mdl-38352910

ABSTRACT

The association between asthma and periodontitis is of interest. 20 periodontitis patients with asthma (asthma group) and 20 patients without asthma (non-asthma group) were included based on inclusion and inclusion criteria. Periodontitis was classified according to 2017 periodontal classification and periodontal parameters such as tooth loss, pocket depth, clinical attachment loss, alveolar bone loss, bone reduction index, plaque index, bleeding index and periodontal risk were assessed. Effect of anti-asthmatic drugs and asthma control on periodontal parameters was also assessed. Inter-group comparison of all the continuous variables was done using independent "t" test. Comparison of categorical variables was done using Chi-square test. P value <0.05 was considered statistically significant. Results showed greater severity and higher grade of periodontitis with asthma group as well as with patients on anti-asthmatic drugs and patients with poor controlled asthma. Hence, there is an association between asthma and periodontitis.

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