EFFICACY OF Azadirachta indica ESSENTIAL OIL BIO-COMPOUNDS AGAINST csuE AMONG Acinetobacter baumannii - AN in-silico ANALYSIS | PLANT CELL BIOTECHNOLOGY AND MOLECULAR BIOLOGY

Introduction: Acinetobacter baumannii has become one of the most prominent pathogens which, particularly in intensive care units, cause a wide range of serious infections. CsuE-mediated biofilm formation plays a role in biotic and abiotic substrates being bacterially attached. In vivo, biofilms are heterogeneous, containing numerous microorganisms that associate with each other and form a complicated population of multiple species. Azadirachta indica (neem) is a world-renowned medicinal plant that has, since time immemorial, a long history of use in various diseases in traditional Indian medical systems (Ayurveda, Unani, Tibetan).

Content and Methods: Compound effectiveness in A. Using bioinformatics databases and resources such as ramachandran validation and auto-docking method, Indica essential oil against csuE was evaluated.

Results: The drug and the ligands were found to be promising in structure retrieval. The selected bioactive compounds of A were shown by drug-ligand interactions. Indica and Ceftazidime control drugs were successful against the development of A by csuE. From baumannii. Imidazole-2-carboxylic acid, 4-methyl, and ethyl 6,8-difluro-4-hydroxyquinoline-3-carboxylate have been found to have heavy hydrogen bonds and fewer binding energies in csuE.

Conclusion: We have found a promising interaction between bioactive compounds of A within the constraints of this analysis. Ndica and A. csuE genes. Baumannianiii

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TARGETING CARO BIOFILM GENE OF A. baumannii WITH ESSENTIAL BIOCOMPOUNDS FROM O. sanctum | PLANT CELL BIOTECHNOLOGY AND MOLECULAR BIOLOGY

Background: A. Baumannii is considered to be the most common multi drug resistant pathogen along with other pathogens like Staphylococcus aureus, Enterococcus faecium, Klebsiella pneumoniae, Pseudomonas aeruginosa and Enterobacter spps. Ocimum sanctum also known as Tulasiis put forward for the treatment of diseases like diarrhea, arthritis, malaria, etc., O. sanctum also contains a huge impact on anti-fertility, antispasmodic, anti-cancer, anti-diabetic. The main aim of this current study was to analyze comparatively the interactions between bioactive compounds from Ocimum sanctum and control drug ceftazidime against carO by using the AutoDock program.

Materials and Methods: The crystal structure of carO was modeled using swiss model server with further optimization of the ligands and the proteins. In-silico inhibitory potential of the selected ligands was done using AutoDock 2.0 and was visualized with Accelrys Discovery Studio Visualizer tool with the assessment of the molecular properties of the ligands by molinspiration calculations and further assessment for their drug likeness.

Results: The amino acids of carO binding with benzofuran7-(2,4- dinitrophenoxy)-3-ethoxy2,3-dihydro-2,2-dimethyl scores to be the best inhibitory agent of carO with a docking score of -8.79 Kcal/mol with five hydro- gen bonds respectively. This is followed by carO inhibition by Hexahydro-1,6-dimethyl-4- (1-methylethyl) with a score of –6.88 Kcal/mol again with 2 hydrogen bonds when compared to ceftazidime with, –6.63 Kcal/mol with 3 hydrogen bond interactions. Molinspiration assessments showed zero violations with TPSA values < 140 Å towards the best oral bioavailability.

Conclusion: The molecular docking results have shown the successful binding of bio-active compounds of Ocimum sanctum with the carO gene of multiple drug resistant Acinetobacter baumannii. Targeting the Inhibitors of biofilm forming genes like carO of Acinetobacter baumannii could be widely used in future generations. The preliminary clue obtained from the present investigation alarms for further target based experimental screening of bio active compounds of Ocimum sanctum to combat carO gene of A. baumannii for better selectivity with further experimental validation for the mechanism of action.

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GENOTYPIC CHARACTERIZATION OF ptk GENE ASSOCIATED WITH BIOFILM FORMATION IN THE CLINICAL ISOLATES OF A. baumanni | PLANT CELL BIOTECHNOLOGY AND MOLECULAR BIOLOGY

Background: ptk associated biofilm formation in Acinetobacter baumannii elevates the virulence property which in turn is highly influencing the pattern of drug susceptibility among hospitalized patients. This study is thus aimed to molecularly characterize ptk gene and to evaluate its co-occurrence among the multi-drug resistant strains from the clinical isolates of A. baumannii.

Methodology: Semi-quantitative adherent bioassay was performed to detect the formation of biofilm by the 73 MDR strains of A. baumannii. Genomic DNA was eventually extracted and were screened for ptk by a series of Polymerase Chain Reactions (PCR) followed by sequencing of the amplicons obtained from the representative strains.

Results: Biofilm assay reflected the following quantitative results: 58.9%, 31.5% and 0.9% as high grade, low grade and negative biofilm formers respectively. ptk gene was observed in 22 MDR strains (30.1%) of A. baumannii. Co-occurrence of ptk gene was 100% among the β-lactam inhibitor, cephems, carbapenems and aminoglycosides resistant strains which was followed by 90.9% among fluroquinolones, 86.3% among efflux pumps and 95.45% among folate resistant strains of A. baumannii.

Conclusion: The findings of the study suggest that the periodical monitoring of the frequency of ptk associated biofilms in MDR strains of A. baumannii, as a preventive measure. However the study indicates and paves way for further studies in future to monitor its association in variation in the drug resistance pattern among the strains.

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PREDICTION AND EVALUATION OF THE B-CELL EPITOPE PEPTIDES FOR carO OF A. baumannii | PLANT CELL BIOTECHNOLOGY AND MOLECULAR BIOLOGY

Acinetobacter baumannii is undoubtedly one of the most successful pathogens responsible for hospital-acquired nosocomial infections in the modern healthcare system. Due to the prevalence of infections and outbreaks caused by multi-drug resistant A. baumannii, few antibiotics are effective for treating infections caused by this pathogen. To overcome this problem, knowledge of the pathogenesis and antibiotic resistance mechanisms of A. baumannii is important. Using various tools online such as IEDB and BepiPred the possible epitopes were found and were checked for their allergenicity (AlgPred), solubility (SolPro), toxigenicity (ToxinPred) and most importantly antigenicity (AntigenPro). The results of these tests showed that three of the eight predicted epitopes were non allergens, non toxic, soluble and antigenic. An attempt on detecting few putative vaccine peptides targeting the carO gene in A.baumannii using Bioinformatics approach suggests promising results in the present study showing three epitope peptides as promising vaccine candidates to combat the menace of drug resistance.

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