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Comparative modeling of 3-oxoacyl-acyl-carrier protein synthase I/II in Plasmodium falciparum– A potent target of malaria
Mukesh Yadav,Anuraj Nayarisseri,Girish Singh Rajput,Aditya Jain
International Journal of Bioinformatics Research , 2010,
Abstract: Plasmodium falciparum causing malaria is yet reigning against drug design community when itcomes to survival and defense. Continuous evolution and drug resistant character is foremost basis ofparasite’s versatility. 3-oxoacyl-acyl-carrier protein synthase I/II in Plasmodium falciparum is discovereddecisive in fatty acid synthesis machinery. Objectives of enzyme inhibition need structural characterizationfrom its 3D structure. In present studies molecular modeling of 3-oxoacyl-acyl-carrier protein synthase I/II isachieved using in silico comparative modeling. ICM Molsoft algorithm was adopted for comparativemodeling which provides an accurate and efficient module to build loops and side chains found non-identicalin sequence. Energy parameters fell in thermodynamically stability zone. Modeled structure revealedappreciable measures when validated. Ramachandran plot signified the present work undertaken throughconformational parameters (phi) and (psi) angles calculated from model with 83.2% residues in mostfavoured region. Further PROCHECK results confirmed acceptance of model through main and side-chainvalues. Root mean square distance of planarity found below 0.01. Beside some bad contacts, bond anglesand bond lengths confer qualitative part of work. Structure of 3-oxoacyl-acyl-carrier protein synthase I/II canbe important tool for structure based drug designing techniques to impel the search of new efficientinhibitors. Comparison of similar structures of parasite can further reveal mutational trends to study theirevolution patterns.
Anuraj Nayarisseri, Mukesh Yadav, Sheaza Ahmed, Jyoti Sahu, Priyanka Gupta, Rachna Chourasia and Deepti Mittal
International Journal of Drug Discovery , 2012,
Abstract: Anthrax is an infectious disease caused by spores of the bacterium, Bacillus anthracis. The B. anthracis spores are highly resistant to inactivation and may be present in the soil, for example, for decades, occasionally infecting grazing animals that ingest the spores. Goats, sheep and cattle are examples of animals that may become infected. Human infection may occur by three routes of exposure to anthrax spores: cutaneous (through the skin), gastrointestinal (by ingestion) and pulmonary (inhalation). A major factor in the virulence of Bacillus anthracis is its secretion of three binary toxins, protective antigen, lethal toxin and edema toxin. These toxins possess a common cell receptor-binding (B) component but have distinct biochemically active (A) components. In traditional vaccine approaches made researchers to produce vaccine very easy. The current approach was based upon the insilico identification of T-Cell Epitopes and its binding affinity with MHC Class II. The T-Cell Epitope was identified using the HLAPred which identifies the peptide class that binds with both MHC Class I and II. Further the Epitope was analyzed for peptide characteristics such as antigenic nature, lipophilicity and solvent assessable. Out of all peptides the peptide which shows all the character for further analyzed for protein peptide interaction to find the high affinity binding peptide with low energy.
International Journal of Drug Discovery , 2011,
Abstract: QSAR studies of thirty 2-arylbenzoxazole derivatives are carried out to probe their inhibitory activityagainst Cholesteryl Ester Transfer Protein (CETP). QSAR models have been obtained using multiple linearregression (MLR) analysis after manifestation of forward selection algorithm to cull significant descriptors out ofdescriptor’s pool. QSAR models are elected with adherent set of statistical parameters with R2=0.9431 andR2=0.9069. Validation of modeling includes method of Y-Scrambling and in addition to this, some other methodsof validation. Moreover, QSAR approach of 2-arylbenzoxazoles are also attempted, supported and validated byflexible docking studies as well. The search strategies include evolutionary algorithm and edited form of GehlhaarPLP scoring function. The same set of thirty candidates from 2-arylbenzoxazole derivatives is processed inmolecular docking and their docking scores are found in agreement with QSAR studies reported. RemarkableCETP inhibitory activity is exhibited by a 2-arylbenzoxazole derivatives molecule 29C with most comprehensiveset of interactions with rerank scores -102.167 and RMSD values 1.104. Hydrogen bond interactions along withhydrophobic and electrostatic interactions are mapped to confirm their potencies.
Comparative modeling of methylentetrahydrofolate reductase (MTHFR) enzyme and its mutational assessment: in silico approach
Dowlathabad Muralidhara Rao,Anuraj Nayarisseri,Mukesh Yadav,Showmy K.S.
International Journal of Bioinformatics Research , 2010,
Abstract: DNA-synthesis, DNA-repair, and DNA imprinting processes require efficient conversion ofhomocysteine to methionine. This methylation is catalyzed by methylentetrahydrofolate reductase throughreduction of 5,10-methylenetetrahydrofolate into 5-methyltetrahydrofolate. Normal DNA synthesis isconsidered critical for physiological functions of body. The enzyme is coded by the gene with the symbolMTHFR on chromosome 1 location p36.3 in humans. At least 24 mutations in the MTHFR gene have beenidentified in people with homocystinuria. There is DNA sequence variants (genetic polymorphisms)associated with this gene. Two of the most investigated are C677T (rs1801133) and A1298C (rs1801131)single nucleotide polymorphisms (SNP). Mutations at C677T and A1298C which confer amino acidsubstitution Ala222Val and Glu429Ala respectively with a considerable reduced activity. This polymorphismand mild hyperhomocysteinemia are associated with neural tube defects in offspring, arterial and venousthrombosis, and cardiovascular disease. 677TT individuals are at a decreased risk for certain leukemia andcolon cancer. The MTHFR gene could be one of the factors of overall schizophrenia risk. In silico analysisnow has added important and wide range applications to proteomics from structure modeling to its functionallevels. Several algorithms have been suggested from many authors to bring an accurate modeling at its bestbut ultimately every protein has its own variant features to be treated by the same algorithm. Studies inproteomics through computational techniques need complements between critical requirement for a proteinand features available in an algorithm. Comparative modeling is now bridging the gap between availablesequences and structures modeled with accuracy. Effective refinement techniques made it capable ofdriving models toward native structure. Structure of MTHFR can assist the study of involvement of thisenzyme in the disorders and can provide better level of understanding about structural aspects of it. Wehave modeled wild type and mutated type MTHFR using comparative modeling and structure validation hasgiven appreciable values. This work can further account for the structure based drug design community inthe search of MTHFR inhibitors.
Design an E-dictionary for visually impaired people using ARM processor
Anuraj Khare,Prof. Balram Timande
International Journal of Electronics and Computer Science Engineering , 2012,
Abstract: The purpose of this paper is to present a design and develop a gadget which can be used as an Electronic dictionary for visually impaired person. This design is chosen to fulfill the necessities required for a visually impaired person. In this circuit we are using ARM processor due to its simple instruction set and inbuilt features such as DAC, Ethernet, CAN etc and Braille keyboard for the ease of the user.
Biotoxicity of CdS/CdSe Core-Shell Nano-Structures  [PDF]
Sreenu Bhanoth, Anuraj S. Kshirsagar, Pawan K. Khanna, Aakriti Tyagi, Anita K. Verma
Advances in Nanoparticles (ANP) , 2016, DOI: 10.4236/anp.2016.51001
Abstract: The cytotoxicity of hydrophobic QDs CdS/CdSe was tested assigning MTT assay on Human Embryonic Kidney cells (HEK-293), breast cancer cells (MCF-7) and Enrichlish Ascitices Cells (EAC). Approximately 65% bio-toxicity was observed in MCF-7 for the core-shell QDs. These QDs may also find effective applications in other optoelectronic devices. CdS/CdSe core-shell hetrostructure quantum dots (QDs) were generated by chemical reaction between the respective chalcogens and cadmium metal salt. Sulphur powder was utilized for CdS core preparation while selenium was extracted from an organoselenium compound to impart CdSe shell layer at a temperature between 150 - 200. So-prepared core-shell QDs showed good optical properties. The particle size was found to be in the range of 3 - 4 nm with spherical morphology and cubic crystal structure.
Maternal multiple micronutrient supplementation and pregnancy outcomes in developing countries: meta-analysis and meta-regression
Kawai,Kosuke; Spiegelman,Donna; Shankar,Anuraj H; Fawzi,Wafaie W;
Bulletin of the World Health Organization , 2011, DOI: 10.2471/BLT.10.083758
Abstract: objective: to systematically review randomized controlled trials comparing the effect of supplementation with multiple micronutrients versus iron and folic acid on pregnancy outcomes in developing countries. methods: medline and embase were searched. outcomes of interest were birth weight, low birth weight, small size for gestational age, perinatal mortality and neonatal mortality. pooled relative risks (rrs) were estimated by random effects models. sources of heterogeneity were explored through subgroup meta-analyses and meta-regression. findings: multiple micronutrient supplementation was more effective than iron and folic acid supplementation at reducing the risk of low birth weight (rr:0.86, 95% confidence interval, ci:0.79-0.93) and of small size for gestational age (rr:0.85; 95% ci: 0.78-0.93). micronutrient supplementation had no overall effect on perinatal mortality (rr:1.05; 95% ci:0.90-1.22), although substantial heterogeneity was evident (i2=58%; p for heterogeneity=0.008). subgroup and meta-regression analyses suggested that micronutrient supplementation was associated with a lower risk of perinatal mortality in trials in which >50% of mothers had formal education (rr:0.93; 95% ci:0.82-1.06) or in which supplementation was initiated after a mean of 20 weeks of gestation (rr:0.88; 95% ci:0.80-0.97). conclusion: maternal education or gestational age at initiation of supplementation may have contributed to the observed heterogeneous effects on perinatal mortality. the safety, efficacy and effective delivery of maternal micronutrient supplementation require further research.
The Effect of Maternal Multiple Micronutrient Supplementation on Cognition and Mood during Pregnancy and Postpartum in Indonesia: A Randomized Trial
Elizabeth L. Prado, Michael T. Ullman, Husni Muadz, Katherine J. Alcock, Anuraj H. Shankar, SUMMIT Study Group
PLOS ONE , 2012, DOI: 10.1371/journal.pone.0032519
Abstract: Maternal caregiving capacity, which is affected in part by cognition and mood, is crucial for the health of mothers and infants. Few interventions aim to improve maternal and infant health through improving such capacity. Multiple micronutrient (MMN) supplementation may improve maternal cognition and mood, since micronutrients are essential for brain function. We assessed mothers who participated in the Supplementation with Multiple Micronutrients Intervention Trial (SUMMIT), a double-blind cluster-randomized trial in Indonesia comparing MMN supplementation to iron and folic acid (IFA) during pregnancy and until three months postpartum. We adapted a set of well-studied tests of cognition, motor dexterity, and mood to the local context and administered them to a random sample of 640 SUMMIT participants after an average of 25 weeks (SD = 9) of supplementation. Analysis was by intention to treat. Controlling for maternal age, education, and socio-economic status, MMN resulted in a benefit of 0.12 SD on overall cognition, compared to IFA (95%CI 0.03–0.22, p = .010), and a benefit of 0.18 SD on reading efficiency (95%CI 0.02–0.35, p = .031). Both effects were found particularly in anemic (hemoglobin<110 g/L; overall cognition: B = 0.20, 0.00–0.41, p = .055; reading: B = 0.40, 0.02–0.77, p = .039) and undernourished (mid-upper arm circumference<23.5 cm; overall cognition: B = 0.33, 0.07–0.59, p = .020; reading: B = 0.65, 0.19–1.12, p = .007) mothers. The benefit of MMN on overall cognition was equivalent to the benefit of one year of education for all mothers, to two years of education for anemic mothers, and to three years of education for undernourished mothers. No effects were found on maternal motor dexterity or mood. This is the first study demonstrating an improvement in maternal cognition with MMN supplementation. This improvement may increase the quality of care mothers provide for their infants, potentially partly mediating effects of maternal MMN supplementation on infant health and survival. The study is registered as an International Standard Randomized Controlled Trial, number ISRCTN34151616. http://www.controlled-trials.com/ISRCTN3?4151616
Anuraj N.S., Sabnani M.K., Mukesh Yadav, Jyotsana K., Deepika S., Rachna C. and Jyoti Sahu
International Journal of Microbiology Research , 2012,
Abstract: Development of natural antimicrobial strategies has always attracted researchers, as disease outbreaks are recognized as important constraints to living organisms because of the development of antibiotic resistance in microorganisms. Use of probiotic bacteria has been in practice as alternatives to antimicrobials in disease control as microbial control agents. Probiotics, the natural and beneficial micro flora has been widely accepted and used in farming and aquaculture because of its diversified applications. It improves water and pond sediment quality which inturn improves aquatic life. Bacterial pathogenicity and virulence can be controlled without using excessive antibiotics which help to minimize the risk of multiple antibiotic resistances. Probiotic help in increased productivity and profits when used properly as they produce antagonistic compounds that are inhibitory toward pathogens, compete with harmful microorganisms for nutrients and energy, compete with deleterious species for adhesion sites, enhance the immune response of the animal, improve water quality, and interact with phytoplankton. Among the large number of probiotic products in use today are bacterial spore formers, mostly of the genus Bacillus. The genus Bacillus is widely used as probiotic products because of its extremely resistant spores which provide exceptional longevity and release exoenzymes. The current investigation is to identify a novel strain of Bacillus licheniformis by application of 16S rRNA gene sequencing. The approach is to identify a novel, proteases and amylases producing bacteria which is used for detergent production. The sample was isolated from near Gudiwada, Krishna district, Andhra Pradesh, India. Subsequently the sample was serially diluted and the aliquots were incubated for a suitable time period following which the suspected colony was subjected to 16S rDNA sequencing. The results showed the isolate to be a novel, high alkaline protease producing bacteria, which was named Bacillus licheniformis strain EMBS026, after characterization the sequence of isolate was deposited in GenBank with accession number JQ267798.
Anuraj N.S., Sheaza Ahmed, Mukesh Yadav, Sneha Singh, Meer Asif A., Mayura Maynal and Urvashi Pisal
International Journal of Microbiology Research , 2012,
Abstract: The term probiotics means supporting life, just being on the opposite spectrum to antibiotic which is against life. Probiotic microorganisms are those microbially derived factors that stimulate the growth of other microorganisms. They are considered to be the best alternative of antibiotics. The current study illustrate the identification of a neutral protease producing bacteria from soil by 16s rRNA sequencing technique. The sample was collected from outskirts of Vijayawada, Andhra Pradesh, India, over dump food wastes soil. The collected sample was serially diluted and the targeted colony after incubation over a certain time period was introduced to 16s rRNA sequencing. The result showed the extract to be a neutral protease producing bacteria which was further named as Paenibacillus polymyxa strain EMBS024. After characterization the sequence of isolate was deposited in GenBank with accession number JQ004091.
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