ABSTRACT
BACKGROUND: The prolonged use of antibiotic viz., tetracycline, quinolones, ampicillin, etc., to reduce the infection of cholera, may failed due to the emergence of new Vibrio cholerae antibiotics resistant strains. Moreover, these antibiotics even restricted for patient suffering from severe dehydration. Hence, there is a call to find an alternative therapeutics against V. cholerae. The natures serve different herbs in its lap which might contain several natural therapeutic compounds almost all diseases. Computer-aided designing is the initial steps for screening the novel inhibitors. OBJECTIVE: To identify and evaluate natural compounds with low side effects with high efficacy against V. cholerae has been done. MATERIALS AND METHODS: In silico screening, absorption, digestion, metabolism, and excretion (ADME), and docking of herbal compounds have been performed on to the target ToxT (transcriptional activator of V. cholerae). The compound with good ADME properties and drug-likeness property were subjected to docking. RESULTS: From 70 herbal compounds, some compounds such as aloin, campesterol, lupeol, and ursolic acid showed a violation of the rule of five and compounds such as lupeol and beta carotene showed negative binding energy. Luteolin, catechin, brevifolin, etc., compounds were selected based on ADME, drug-likeness property, and docking studies. CONCLUSION: Two compounds named catechin and luteolin showed better inhibition properties against ToxT and good ADME and drug-likeness property were selected as a better lead molecule for drug development in future. The Genetic Optimization for Ligand Docking fitness score for catechin is 48.74 kcal/mol and luteolin 38.12 kcal/mol. SUMMARY: Vibrio cholerae became antibiotic resistance and associated with several cholera epidemic and pandemic. Hence, there is a need to find an alternative therapeutics against V. cholerae. Many herbal compounds present in nature having high medicinal value. From in-silico study, found two compound Luteolin from Tulsi and Catechin from Green Tea which showed good binding energy and druggish property. Abbreviations used: V. cholerae: Vibrio cholera, ADME: Absorption, digestion, metabolism and excretion, CT: Cholera toxin, TCP: Toxin co-regulated Pilus, GOLD: Genetic Optimization for Ligand Docking, Asp: Aspartic acid, Arg: Arginine, Lys: Lysine, Thr: Threonine, Tyr: Tyrosine, KEGG: Kyoto encyclopedia of Genes and Genomes.
ABSTRACT
BACKGROUND/PURPOSE: Research into the distribution of bioaerosols during events associated with huge groups of people is lacking, especially in developing countries. The purpose of this study was to understand the distribution pattern of bioaerosols during an annual trade fair in the historical city of Gwalior, central India, a very important historical fair that was started by the King of Gwalior Maharaja Madho Rao in 1905. METHODS: Air samples were collected from six different sites at the fair ground and three different sites in a residential area before/during/after the fair using an impactor sampler on microbial content test agar and rose bengal agar for total bacteria and fungi, respectively. The representative strains of bacteria and fungi were further identified and selected bacterial strains were subjected to antibiotic susceptibility testing according to US Clinical and Laboratory Standards Institute (CLSI) guidelines. RESULTS: The bacterial bioaerosol count [colony-forming units (CFU)/m(3)] at fair sites was found to be 9.0 × 10(3), 4.0 × 10(4), and 1.0 × 10(4) before the start of the fair, during the fair, and after the fair, respectively. The fungal bioaerosol count at fair sites was 2.6 × 10(3) CFU/m(3), 6.3 × 10(3) CFU/m(3), and 1.7 × 10(3) CFU/m(3) before the fair, during the fair, and after the fair, respectively. Bacterial/fungal bioaerosols during-fair were increased significantly from the bacterial/fungal bioaerosols of the before-fair period (p < 0.05); they were also significantly higher than the bacterial/fungal bioaerosols at non-fair sites during the event (p < 0.0001). The proportion of antibiotic-resistant bacteria over the fair ground was significantly increased during-fair and was still higher in the after-fair period. Methicillin-resistant staphylococci (MRS) were also reported at the fair ground. CONCLUSION: The study indicates significantly higher bacterial and fungal bioaerosols during the fair event. Therefore, further research is needed to explore the health aspects and guidelines to control microbial load during such types of events.
