Drought Exposed Burkholderia seminalis JRBHU6 Exhibits Antimicrobial Potential Through Pyrazine-1,4-Dione Derivatives Targeting Multiple Bacterial and Fungal Proteins.

The present study aimed to explore the antimicrobial potentials of soil bacteria and identify the bioactive compounds and their likely targets through in silico studies. A total 53 bacterial isolates were screened for their antimicrobial potential of which the strain JRBHU6 showing highest antimicrobial activity was identified as Burkholderia seminalis (GenBank accession no. MK500868) based on 16S ribosomal RNA (rRNA) gene sequencing and phylogenetic analysis. B. seminalis JRBHU6 also produced hydrolytic enzymes chitinases and cellulase of significance in accrediting its antimicrobial nature. The bioactive metabolites produced by the isolate were extracted in different organic solvents among which methanolic extract showed best growth-suppressing activities toward multidrug resistant Staphylococcus aureus and fungal strains, viz Fusarium oxysporum, Aspergillus niger, Microsporum gypseum, Trichophyton mentagrophytes, and Trichoderma harzianum. The antimicrobial compounds were purified using silica gel thin layer chromatography and high-performance liquid chromatography (HPLC). On the basis of spectroscopic analysis, the bioactive metabolites were identified as pyrrolo(1,2-a)pyrazine-1,4-dione,hexahydro (PPDH) and pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3(2-methylpropyl) (PPDHMP). In silico molecular docking studies showed the bioactive compounds targeting fungal and bacterial proteins, among which PPDHMP was multitargeting in nature as reported for the first time through this study.

Molecular crowding and conserved interface interactions of human argonaute protein-miRNA-target mRNA complex.

RNA interference (RNAi) has been of interest given its role in genetic interference. More significantly, recent studies provided evidence of it being one of the antiviral response mechanisms in humans. Argonaute (Ago) protein plays a central role in the RNA-induced silencing complex (RISC) that cleaves mRNA. Molecular crowding in cellular systems is known to impact dynamics and interactions of biomolecules. We present here the results from our molecular dynamics simulations based study on the interfaces between Ago, miRNA and Target RNA in presence of molecular crowders. 6 simulations at 3 crowder concentrations, including the aqueous condition, were performed. Our results indicate that crowding changes the dynamics, makes the complex stabler and aids binding free energy. More importantly, features conserved across the three systems and amino acid residues with crowding resilient interactions with RNA are identified.Communicated by Ramaswamy H. Sarma.

Immunoinformatic Approaches for Vaccine Designing Against Viral Infections.

Vaccines have become a cost-effective method for prevention or treatment of viral infections. Conventional methods to design a vaccine candidate is a laborious process requiring time and economy. Many approaches have been made to reduce the times and economy of vaccine development. In this regard, immunoinformatic approach is supposed to bring a revolution in vaccine development. This chapter provides an overview of immunoinformatics and its application in in silico vaccine design and development strategies in humans against viral diseases with the help of available databases and tools.

Epitope imprinting of Mycobacterium leprae bacteria via molecularly imprinted nanoparticles using multiple monomers approach.

Mycobacterium leprae causes endemic disease leprosy which becomes chronic if not treated timely. To expedite this 'timely diagnosis', and that also at an early stage, here an attempt is made to fabricate an epitope-imprinted sensor. A molecularly imprinted polymer nanoparticles modified electrochemical quartz crystal microbalance sensor was developed for sensing of Mycobacterium leprae bacteria through its epitope sequence. Multiple monomers, 3-sulphopropyl methacrylate potassium salt, benzyl methacrylate and 4-aminothiophenol were utilized to imprint this bacterial epitope. Imprinted nanoparticles were electropolymerized on gold coated quartz electrode. The sensor was able to show specific binding towards the blood samples of infected patients, even in the presence of 'matrix' and other plasma proteins such as albumin and globulin. Even other peptide sequences, similar to epitope sequences only with two amino acid mismatches were also unable to show any binding. Sensor withstood analytical tests viz. selectivity, specificity, matrix effect, detection limit (0.161 nM), quantification limit (and 0.536 nM), reproducibility (RSD 2.01%). Hence a diagnostic tool for bacterium causing leprosy is successfully fabricated in a facile manner which will broaden the clinical access and efficient population screening can be made feasible.

Insights into the effect of molecular crowding on the structure, interactions and functions of siRNA-PAZ complex through molecular dynamics studies.

siRNA molecules are well known to be involved in the post-transcriptional regulation of gene expression and play a key role in understanding the intricacies of eukaryotic gene regulation. While it is widely known that 3' end of siRNA binds to the PAZ domain of Argonaute proteins, it remains unclear whether the molecular crowding facilitates or hinders the overall siRNA-protein interactions during RNA interference. The biological interaction networks controlling the cellular functions of any biological cell may behave very differently in crowded environment as compared to the dilute conditions. Therefore, it is of interest to study the siRNA-protein interactions under more physiologically relevant conditions. In our previous work, we studied the role of hydrogen bond interactions and water network interactions towards the structural integrity of siRNA-PAZ complex. We also described the motions relevant for the functioning of the complex and analyzed the biphasic interaction of the 3' end of siRNA within the PAZ domain under aqueous condition. In the present work, we studied the dynamics of siRNA-PAZ complex in the presence of water-soluble crowding agent. We observed significant changes in interactions and dynamics of siRNA-PAZ complex in the presence of crowder. The conserved H-bond interactions were destabilized by ≈12%, while interfacial water networks were stabilized in the presence of crowder. The analysis of siRNA-PAZ dynamics revealed the stabilizing role of ARG52, ARG172, LYS53 and LYS173 in siRNA-PAZ complex. Interestingly, despite increase in flexibility as measured by RMSD, crowding stabilized top modes. Communicated by Ramaswamy H. Sarma.

Identification of Potential Antituberculosis Drugs Through Docking and Virtual Screening.

Tuberculosis is the most prominent contagious disease and needs the new targets and drugs identification. Target identification and validation is a crucial step in drug discovery process. In Mycobacterium tuberculosis, decaprenyl-phosphoryl-ß-D-ribose 2'-oxidase is a potential target for antitubercular chemotherapy. It is encoded by genes dprE1 (Rv3790) and dprE2 (Rv3791). Three-dimensional (3D) structure prediction of selected target (461 amino acid residues) was intent by homology modeling using multitemplate approach based on crystal structure of 2EXR.pdb and 2Q4W.pdb with score = 48.9 bits and identities = 42/148 (29 %). A computed model was subjected to refinement based on consensus generated from two-dimensional structures and then evaluated using Structural Analysis and Verification Server to get reliable model. The final optimized model after analysis of Ramachandran plot revealed 86.5 % Core, 78.1 % Verify 3D score and 75.302 Errat values. Structure-based virtual screening against ZINC database was performed through molecular docking approach using Molegro Virtual Docker 4.2.0. The best 10 docked ligands were enumerated and validated based on their AutoDock Vina docking energy, scoring function and absorption, distribution, metabolism, excretion properties. The complex scoring function, docking energies and binding affinities revealed that these ligand molecules could be promising inhibitors against decaprenyl-phosphoryl-ß-D-ribose 2'-oxidase. The present work also investigates the potential of computational molecular modeling.

Anxiety Levels among Five-Year-Old Children Undergoing ART Restoration- A Cross-Sectional Study.

INTRODUCTION: Atraumatic Restorative Treatment (ART) involves manually excavating the carious part of the tooth and restoring the prepared cavity with chemically adhesive restorative material [Glass Ionomer Cement (GIC)] and it may induce and/or impact the dental anxiety in children. It is well established that ART procedure is less anxiety producing when compared with other restorative procedures using dental drill. AIM: The aim of this study was to evaluate the anxiety levels among five-year-old children undergoing ART restoration in I.T.S. Dental College, Greater Noida, India. MATERIALS AND METHODS: A sample of 50, five-year-old children visiting the Outpatient Department (OPD) of ITS Dental College, Greater Noida was selected for ART treatment using Fuji IX GIC. Modified Venham Anxiety Scale based on their behaviour and heart rate of the children were measured and recorded before, during and after the ART procedure. Heart rate was measured using Radial Pulse examination method. Chi-square test was used and tests were conducted using IBM SPSS software (ver.20.0; IBM, Chicago, IL, USA). RESULTS: Before the ART treatment, heart rates and Modified Venham Anxiety Scores of majority of children were higher than that after the treatment. A p-value was statistically significant (0.028 and 0.048 respectively) for association of gender with heart rate and Modified Venham's score before the ART treatment. No statistically significant relation was found between the variables during and after the ART treatment. CONCLUSION: The level of anxiety for ART treatment in children was higher before the treatment than that during and after the treatment. There is a correlation between the gender of children and their level of anxiety for ART treatment.

Oral health knowledge, awareness and associated practices of pre-school children's mothers in Greater Noida, India.

AIM: To assess the oral health knowledge, awareness and associated exercised practices of pre-school children's mothers in Greater Noida, India. SUBJECTS AND METHODS: The sampling frame for this study was chosen via convenient sampling. It comprised 598 mothers of children aged between 2 and 5 years, attending the paediatrics division of a government and four private hospitals in Greater Noida. A pre-tested questionnaire was distributed to the participants which comprised questions on the participant's sociodemographic characteristics and 23 statements regarding their knowledge, attitude and practices towards their child's oral health. Data were analysed using SPSS 21.0. P < 0.05 was considered statistically significant. RESULTS: The study showed that merely 24.9% of the participating mothers had good knowledge and 29.1% and 12.5% exhibited poor attitude and practices, respectively, towards their child's oral health. Knowledge about the role of fluorides, causes and prevention of dental caries, gum disease, malocclusion, appropriate timing of commencing of toothbrushing and importance of frequent dental visit was found to be inadequate among the participants. The knowledge varied significantly with respect to age (P = 0.04), education (P = 0.00) and working status (P = 0.006) of the mothers. CONCLUSION: The study participants exhibited poor knowledge and attitude towards their child's oral heath which was leading to the adoption of poor oral health practices by these mothers. Thus, to improve the oral health of children, appropriate practices and measures should be promoted among their parents/guardians.

Oral Radiology Safety Standards Adopted by the General Dentists Practicing in National Capital Region (NCR).

INTRODUCTION: With advancement in diagnostic techniques, the utilization of radiologic examination has risen to many folds in the last two decades. Ionizing radiations from the radiographic examination carry the potential for harm by inducing carcino-genesis in addition to the diagnostic information extracted. Radiation doses utilized in the course of dental treatment might be low for individual examinations but patients are exposed to repeated examinations very often and many people are exposed during the course of dental care. Therefore, principles of radiation protection and safety are necessary for the dentists to follow to ensure minimum and inevitable exposure. AIM: The aim of this study was to investigate the knowledge and behaviour of general dentists practicing in the National Capital Region (NCR) regarding radiation safety during oral radiographic procedures. MATERIALS AND METHODS: The study was a questionnaire based cross-sectional study. A total of 500 general dentists were contacted to participate in the study. The target population entailed of general dentists practicing in the National Capital Region. Data was computed and tabulated in Microsoft excel sheet and statistical analysis was performed with the help of SPSS version 21.0. RESULTS: The total response rate recovered was 70.6% and the respondents comprised of 59% and 41% males & females respectively. Only 64.8% of the general dentists contemplated thyroid to be the most important organ for radiation protection. Only 28.8% of the general dentists followed the position & distance rule appropriately. CONCLUSION: The results showed that the knowledge and behaviour of the general dentists and the practices adopted by them regarding radiation safety is not satisfactory. To ensure the following of basic and necessary guidelines for radiation safety and protection, strict rules with penalties should be implemented by the state councils and new and interesting methods of education for this spectrum of the field should be introduced.

Association Between Harmful Oral Habits and Sign and Symptoms of Temporomandibular Joint Disorders Among Adolescents.

CONTEXT: Temporomandibular disorder (TDM) is defined as a heterogenous group of psychophysiological disorders commonly characterised by orofacial pain, chewing dysfunction or both. Various Epidemiological studies had shown occurrence of TMD in all age groups including children. Also research had shown that non nutritional oral habits to be associated with TMD. AIM: Present study aimed to find whether harmful oral habits are associated with sign and symptoms of TMD among adolescents in Greater Noida. SETTING AND DESIGN: Schools in Gautam Buddha district and descriptive study. MATERIALS AND METHODS: Cross sectional study was carried out among 240 adolescents (10 - 19 years) studying in schools of Greater Noida. Study population were selected by random sampling to whom screening questionnaires recommended by American Academy of Orofacial Pain (AAOP) were distributed. Patient history and clinical examination was used to determine harmful oral habits. Data analysis was done in SPSS version 21 and Chi-square test was applied. RESULTS: Sixty one participants (25.4%) displayed no sign and symptoms of TMD, 34 (14.2%) responded affirmatively to atleast one item on the questionnaire and 108(46%) gave at least three affirmative responses. Headache, Neckpain and Toothache were most frequent reported sign and symptoms of TMD (46.2%). There was statistically significant association between gender and sign and symptoms of TMD on three items of the questionnaire (p < 0.05). Nail Biting (45.8%), Biting Lips/objects (37%) were most common habits among the study group. There was statistically significant association between Nail Biting (p = 0.001), Lip Biting/ object biting (p=0.001), Grinding of teeth (p = 0.01) and sign and symptoms of TMD. CONCLUSION: A statistically significant association was found between nail biting, lip/ object biting and grinding of teeth with signs and/or symptoms of TMD. Thus there is need for preventive dental treatment and community dental education so that young adults realize importance of early diagnosis and treatment of TMJ disorders.

High levels of physical inactivity amongst dental professionals: a questionnaire based cross sectional study.

INTRODUCTION: A Dentist plays an important role in providing health education (General and Oral) to the community. Questions arise regarding their own health, which in turn affects their patients' counselling for leading a healthy and a physically active life. AIM: To measure and compare the amount of physical activity present amongst dental professionals with the general population of Greater Noida. MATERIALS AND METHODS: The International Physical Activity Questionnaire (IPAQ) was used to measure physical activity and statistical significance was calculated using SPSS version 21.0. Statistical significance was kept as p <.05. RESULTS: Compared to the general population, Dentists were more obese and reported increased levels of low physical activity. Dentists had an increased and significant transportation and leisure time activity (p= .03 and .01) whereas, the general population had a higher level of vigorous activity(p = <.01). The MET hour/week for dentists and general population was 33.72 and 36.24 respectively, which was quite low as compared to European population. CONCLUSION: The results indicate that dentists report a lower level of physical activity as compared to the general population of Greater Noida. However, on a global scale, the physical inactiveness of dentists and general population alike could pose a serious health hazard and if kept unchecked, shall increase the global burden of chronic disease.

Cross sectional survey on association between alcohol, betel- nut, cigarette consumption and health promoting behavior of industrial workers in Ghaziabad.

BACKGROUND: The work force in industries are at risk of developing unduly high rates of health and behaviour related problems including abuse of alcohol, betel nut and cigarette (alcohol, betel nut and cigarette consumption). This study describes the relationships between alcohol, betel nut and cigarette consumption and health promoting behaviour among industrial workers. MATERIALS AND METHODS: A cross sectional survey was conducted on workers in various industries of Ghaziabad city with concerned authority permission. A sample size of 732 workers was calculated based on pilot study. Through Simple random sampling 732 workers in 20 to 50 years age group with informed consent were interviewed through structured, pretested, validated questionnaire in vernacular language by one calibrated investigator. Data on socio demography, alcohol, betel nut and cigarette consumption pattern and health behaviour were collected. The association between health promoting behaviour and alcohol, betel nut and cigarette consumption was analysed by Logistic regression and Chi-square test through SPSS 16 at p<0.05 and 95%CI as significant. RESULTS: Total prevalence of alcohol, betel nut and cigarette consumption in study population was 88%. The prevalence of individual alcohol, betel nut and cigarette consumption were 82%, 68% and 79% respectively. Combined alcohol, betel nut and cigarette prevalence in study population was 58%. Alcohol and cigarette users were significantly higher (p<0.001) in 30 to 40 years age group with lower level of education having poor attitude towards health promoting behaviour, poor oral hygiene practices and rare indulgence in regular physical exercise. CONCLUSIONS: This study stimulate further research on exploring methods to prevent initiation of health risk behaviour and promote healthy behaviour with cessation help for the current alcohol, betel nut and cigarette users.

Betel nut chewing and its deleterious effects on oral cavity.

The habit of chewing betel nut has a long history of use. Betel nut and products derived from it are widely used as a masticatory product among various communities and in several countries across the world. Over a long period, several additives have been added to a simple betel nut preparation; thus, creating the betel quid (BQ) and encompassing chewing tobacco in the preparation. Betel nut has deleterious effects on oral soft tissues. Its effects on dental caries and periodontal diseases, two major oral diseases are less well-documented. Betel-induced lichenoid lesions mainly on buccal mucosa have been reported at quid retained sites. In chronic chewers, a condition called betel chewers mucosa is often found where the quid is placed. Betel nut chewing is implicated in oral submucous fibrosis (OSF) and its use along with tobacco can cause leukoplakia, both of which are potentially malignant in the oral cavity. Oral cancer often arises from such precancerous changes. Thus, public health measures to quit betel use are recommended to control disabling conditions such as OSF and oral cancer.

Anti-inflammatory potential of alpha-linolenic acid mediated through selective COX inhibition: computational and experimental data.

The present work investigates the anti-inflammatory activity of alpha-linolenic acid (ALA) and linoleic acid (LA) using computational and experimental analysis. The binding affinity of ALA and LA was appraised for cyclooxygenase 1 (COX-1), cyclooxygenase 2 (COX-2), and 5-lipoxygenase (5-LOX) using AutoDock 4.2 and AutoDock Vina 1.1.2. Anti-inflammatory activity of ALA (2 and 4 ml/kg, i.p.) (55.65 % v/v) and LA (2 and 4 ml/kg, i.p.) (55 % v/v) was further assayed using the rat paw edema test against a variety of phlogistic agents including carrageenan, arachidonic acid, prostaglandin, and leukotriene, respectively. ALA (2 and 4 ml/kg, i.p.) and LA (2 and 4 ml/kg, i.p.) were further tested for their efficacy against complete Freund's adjuvant (CFA)-induced (0.05 ml) arthritis in albino rats. Following CFA-induced arthritis, ALA and LA were tested for their inhibitory proficiency against COX-1, COX-2, and 5-LOX in vitro. The present study commends that the anti-inflammatory potential of ALA could be attributed to COX inhibition, in particular, COX-2.

Betel nut chewing behaviour and its association with oral mucosal lesions and conditions in Ghaziabad, India.

PURPOSE: To assess the practices and behaviour among Betel nut users in Ghaziabad and to detect the clinically associated oral mucosal lesions and conditions. MATERIALS AND METHODS: A community-based survey was conducted in Ghaziabad among 332 betel nut users. Data on betel nut use was obtained through a self-administered questionnaire. Oral mucosal lesions and conditions were recorded using WHO criteria. RESULTS: Out of 332 betel nut users, 32.8% consumed Gutkha. 62.3% users used betel nut with tobacco. Most of the study population started chewing betel nut because of peer pressure and the habit started at the workplace or school. A majority found that there was no physical discomfort due to the habit. The significant oral diseases detected were oral leukoplakia in 11.7% and oral submucous fibrosis in 6.1% of individuals. CONCLUSION: The findings of the present study revealed that 74.7% of the participants were current chewers. 30.4% of all participants had oral mucosal lesions and conditions.

N2-fixation and seedling growth promotion of lodgepole pine by endophytic Paenibacillus polymyxa.

We inoculated lodgepole pine (Pinus contorta var. latifolia (Dougl.) Engelm.) with Paenibacillus polymyxa P2b-2R, a diazotrophic bacterium previously isolated from internal stem tissue of a naturally regenerating pine seedling to evaluate biological nitrogen fixation and seedling growth promotion by this microorganism. Seedlings generated from pine seed inoculated with strain P2b-2R were grown for up to 13 months in a N-limited soil mix containing 0.7 mM available N labeled as Ca((15)NO3)2 to facilitate detection of N2-fixation. Strain P2b-2R developed a persistent endophytic population comprising 10(2)-10(6) cfu g(-1) plant tissue inside pine roots, stems, and needles during the experiment. At the end of the growth period, P2b-2R had reduced seedling mortality by 14 % and (15)N foliar N abundance 79 % and doubled foliar N concentration and seedling biomass compared to controls. Our results suggest that N2-fixation by P. polymyxa enhanced growth of pine seedlings and support the hypothesis that plant-associated diazotrophs capable of endophytic colonization can satisfy a significant proportion of the N required by tree seedlings growing under N-limited conditions.

Awareness of Consumer Protection Act among dental health professionals in dental schools of Ghaziabad, India.

AIM: The study aimed to assess the awareness of the Consumer Protection Act among dental health professionals in dental schools of Ghaziabad, India. MATERIALS AND METHODS: A cross-sectional questionnaire survey was carried out on dental health professionals in dental schools of Ghaziabad, India. A total of 348 dental health professionals (170 males and 178 females) were surveyed, out of which 116 were MDS faculty, 45 were BDS faculty and 187 were pursuing post graduation. The questionnaire comprised of 24 questions about the awareness of consumer protection act. Statistical analysis was done using Chi-square test, student's t test and ANOVA. RESULTS: A total of 84.8% (n=295) reported to be aware of consumer protection act. Amongst them, MDS faculty showed more awareness as compared to BDS faculty and those pursuing post-graduation. CONCLUSION: Considering the present scenario, MDS faculty dental professionals have more awareness of consumer protection act compared to other dental professionals. So, we must upgrade our knowledge on consumer protection act at all levels of our profession and change our attitude by inculcating a practice to spread the message of consumer protection act for delivering quality dental care.

Use of mobile telephone short message service as a reminder: the effect on patient attendance.

BACKGROUND: Nonattendance for hospital outpatient appointments is a major burden on healthcare systems and the estimated financial loss can be high. Various reasons for patients not attending have been reported, including the patient/carer forgetting the appointment and confusion over the date and time of the appointment. Various reminder systems have been trialled across a variety of clinical settings. More recently, short message service (SMS) text messaging has emerged as a viable approach for delivering reminders to outpatients at a relatively low cost. AIMS AND OBJECTIVES: To evaluate the effect of appointment reminders, sent as SMS text messages to patients' mobile telephones, on attendance at outpatient clinics at the ITS Centre for Dental Studies and Research (ITS-CDSR), Muradnagar, Ghaziabad, Uttar Pradesh, India. MATERIALS AND METHODS: The study was conducted at ITS-CDSR in the Departments of Prosthodontics, Endodontics, Orthodontics and Paedodontics. Patients attending these departments for a period of 4 months and those who had provided a contact mobile number were sent an SMS reminder. RESULTS: In this study, 206 subjects (male, 124; female, 82) participated, 96 (male, 57; female, 39) of whom were in the test group and 110 (male, 67; female, 43) of whom were in the control group. The rate of attendance on time was found to be significantly higher in the test group (79.2%) than in the control group (35.5%). CONCLUSION: The study results indicate that sending appointment reminders as text messages to patients is an effective strategy to reduce nonattendance rates.