Cart

default logo

Ibioinformatics - Volume 1 - Issue No 3 and 4

[<<< GO BACK ][ VOLUME 1 - ISSUE NO 3 AND 4 ]

Title: Bioinformatics through the history
Abstract :EDITORIAL
Title: Proteomics and Sequence Analysis for HPV type 16 E7 Protein Expressed in Cervical Cancer
Abstract :
Proteomics is a dynamic property closely related to the conformational mechanisms of protein structure in its physiological environment. To understand and control the function of target proteins, it becomes increasingly important to develop methods and tools for predicting collective motions at the molecular level. In this paper various Bioinformatics tools are used for the primary and secondary structure analysis for HPV Type 16 E7 protein expressed in cervical cancer. ProtPram computed parameters include molecular weight (11.02 KD), theoretical pI (4.20),Protein Isoelectric Point as pH 3.97and Aliphatic index as 78.57 and Grand average of hydropathicity (GRAVY): -0.405. PSORT Signal score as (-10.24), cytoplasmic protein score (0.650), mitochondrial matrix space (0.100), lysosome lumen score (0.100), Endoplasmic reticulum (0.00) and Possible cleavage site was (61).GOR- 4 predict secondary structure of HPV type 16 E7 protein in row as H=helix, S= extended ‘or’ Beta and C=coil and give the probable value for each amino acid. IMutant2.0 is used gives prediction of protein stability changes upon mutation. TCOFFEE was employed to compare the sequences which predict the key residues responsible for catalytic activity of the enzyme, amino acid sequence of HPV TYPE 16 E7 proteins.
Title: In Silico Structure Based Drug Designing of A Potent Inhibitor for Purine Nucleoside Phosphorylase A Therapeutic Target for Schistosomiasis
Abstract :
Schistosomiasis (also known as bilharzia, bilharziasis, bilharziosis or snail fever) is a human disease syndrome caused by infection from one of several species of parasitic trematodes of the genus Schistosoma. Schistosomiasis is a major source of morbidity and mortality in many tropical and sub-tropical countries as well as for travelers from developed countries. Control of the disease depends mainly on chemotherapy, with praziquantel becoming the exclusive drug. Extensive use of praziquantel with concerns about the possibility of drug resistance development, unavailability of an applicable vaccine, and the absence of a reasonable alternative to praziquantel all represent a real challenge. One of the suggested solutions is to exploit the advantages of compounds that proved efficacious at the experimental level with a good safety profile. Purine nucleoside phosphorylase is known to be essential for the recovery of purine bases and nucleosides in schistosomes, due to an absence of the enzymes for de novo synthesis, making it a sensitive point in the parasite’s metabolism. The present paper discusses PNP as an attractive target for drug design for Schistosomiasis. This potential drug candidate developed on Chemsketch, modeller9v7 and Ligbuilder followed by their rigid docking on Hex and flexible docking using AutoDock and Quantum with IC50 2.511e-0.004 and -7.9 kcal/mol (affinity) might be effective source in curing Schistosomiasis in near future.
Title: Characterization of Listeria monocytogenes Isolated from Retail Organic Chicken
Abstract :
Listeria monocytogenes is an important foodborne pathogen. It is commonly found in the environment, frequently present in the gut of cattle, poultry, and pigs and can be transmitted to ready-to-eat foods as well as raw meat products. However, no data are available on the prevalence of L. monocytogenes in organic foods. Throughout its history Listeria has been observed, studied and phylogenetically classified by numerous researchers. Because of the uncertainty of its phylogenetic position and its morphological similarity to the group of coryneform bacterium, names such as, Corynebacterium parvulum and Corynebacterium infantisepticumhave been used to describe the organism. In addition, serotyping and subtyping isolates of the pathogen L. monocytogenes is not only important for epidemiological reasons but for increasing our knowledge about the ancestry, evolution and virulence of this important foodborne pathogen
Title: Effect of NaCl Induced Oxidative Stress on Growth and Antioxidant Enzymes of Strawberry (Fragaria x ananassa. Duch.) cv. Selva
Abstract :
The modern cultivated strawberry is one of the most delicious, refreshing and soft fruits of the world. About 20% of irrigated arable land in arid and semi-arid regions world wide is salt affected .The possible involvement of antioxidant enzymes in relation to the tolerance to salt stress was investigated in the cultivated Strawberry Fragaria x ananassa.D. Selva.Five months old berry runners were grown and subjected to 0.00, 0.25.0.50, 0.75, 1.0, and 1.50% NaCl treatments. The Growth and antioxidant enzymes investigation was carried out in three important stages of crop such as pre-flowering, flowering and fruiting against salinity induction. Growth of the plant was gradually decreased with the increase in salinity whereas total soluble and proline content and the activities of superoxide dismutase (SOD), ascorbate Peroxidase (APOX), and Catalase (CAT) increased with increase in NaCl concentrations in external medium till 0.75% and other treatments showed decrease in activity. The activities of SOD, APOX and CAT were up regulated at fruiting stage. These results suggest that the cultivated strawberry Fragaria x ananassa.D.Selva exhibit a better protection mechanism against oxidative damage by up regulation of antioxidant enzymes.
Title: Response of Some Mitochondrial Enzymes to NaCl Induced Oxidative Stress in Strawberry cv Chandler and Wild type Fragaria vesca L.
Abstract :
The activity of mitochondrial enzymes which coordinate the mitochondrial redox system (Succinate dehydrogenase, NADH dehydrogenase, NADH oxidase and ATPase) were investigated against salt exposure. The increased activity of all mitochondrial enzymes in leaves of strawberry were observed up 0.75 % NaCl concentration, which probably explains the survival of the strawberry plant at this concentration.. The higher concentration of NaCl, (above the 0.75 % NaCl concentrations) affected the growth towards reduction and finally caused death of strawberry plants at 3 % NaCl concentration. The efficient mitochondrial redox system was exhibited by chandler variety of strawberry at 0.75 % NaCl concentration. Specific activity of succinate dehydrogenase, NADH dehydrogenase and NADH oxidase showed the highest rate of redox reaction at 0.75 % NaCl concentration, and ATPase also showed the maximum oxidative phosphorylation at 0.75 % NaCl concentration. Mitochondrial enzymes studied to understand the response to NaCl induced stress was exhibited better performance at 0.75 % NaCl concentration in strawberry and this may probably suggest the redox system operated by mitochondria was efficient in the development of resistance against NaCl oxidative stress. So these mitochondrial enzymes may be used as tools for the improvement of resistance against the salinity stress by genetic engineering experiments i.e. transgenic plant development. The toxicity developed was appears to be probably due to the suppressed activity of mitochondrial enzymes and antioxidants.This also suggests that the minor saline soils may possibly adapt to the strawberry variety chandler as a cultivar at farmer level.
Title: Phylogenetic and in silico Proteomic Analysis of Fructose 1, 6 Biphosphate Aldolase-II in Community Acquired- Methicillin Resistant Staphylococcus aureus (CA-MRSA)
Abstract :
In 1990s, a new strain of methicillin resistant Staphylococcus aureus (MRSA) emerged in the community setting occurring among young healthy individuals with no exposure to the healthcare setting. The infections caused by these strains are called community-acquired MRSA (CA-MRSA). Skin and soft-tissue infections (SSTIs) are the most common type of CA-MRSA infection including furuncles, abscesses, folliculitis, impetigo, cellulitis, and more rarely, in cases of severe sepsis, necrotizing fascitis, and necrotizing pneumonia. Recently, fructose 1, 6 biphosphate aldolase-II (FBA) enzyme has been identified as potential drug target for CA-MRSA through metabolic pathways analysis. In the present work, phylogenetic analysis and computational proteomic analysis of FBA for CA-MRSA was carried out. The phylogenetic analysis results of FBA in CA-MRSA reveal that apart from various S. aureus strains, it is closely related to other pathogenic non-aureus staphylococcal species as well. In addition, FBA is evolutionarily conserved in other pathogenic species of Bacillus. Therefore, FBA might be exploited as potential therapeutic drug target for various aureus and non-aureus species of Staphylococci. The proteomic analysis of FBA reveals that this protein belongs to Aldolase class-II family, which is absolutely distinct from the mammals. The physico-chemical properties data suggest that the FBA protein is stable in nature.
Title: Homology Modeling of Human Hairless Protein
Abstract :
The protein associated with hairless gene is known as “hairless protein”, which is necessary for hair growth and when it stops functioning then complete hairlessness will occur. This gene is located on Chromosome 8 at position 22027873-22045326. Hairless gene comes under the super family of JmjC domain containing proteins and also functions in the mechanism of histone demethylation. The length of domain sequence is 212 amino acids which is present within the hairless protein of 1189 residues, from residue position 946 to 1157. In more than 100 eukaryotic and bacterial sequences, JmjC domains have been identified on the basis of significant sequence similarity, which include human hairless gene, mutated in individuals with alopecia universalis. We have attempted the bioinformatics approach to homology model the JmjC domain in the hairless protein. The tools and softwares used in this work are NCBI-BLASTP, EBIClustalW, SMART, 3D-PSSM, DeepView /Swiss–PDB Viewer, PyMOL and WhatCheck. The structure of JmjC domain is predicted by using the template crystal structure of probable antibiotic synthesis protein from Thermus thermophilus HB8. The minimized energy value of modeled domain structure was -3394.570 KJ/mol. WHAT IF-Proteins Model Check tool was used in the validation of modelled domain structure.
Title: Molecular Dynamics Simulation of Esterase (EstA) from Aspergillus niger
Abstract :
Molecular dynamic simulation was done, in neutral and acidic conditions mimicking through protonation of the surface accessible residues, on Aspergillus niger esterase (EstA) to get an insight of the domain movement of the protein. The structure was taken from protein databank under pdb Id 1UKC. It has hydrolase superfold with catalytic triad as Ser210, Glu338 and His440. Simulation studies revealed larger fluctuations of EstA residues in acidic environment as compared to neutral environment, the conformation of protein changed from closed to open form at acidic conditions whereas at neutral conditions enzyme was in closed conformation. Movements in residues of regulatory domain were found responsible for the correct conformation and proper orientation of active site residues. Absence of lid domain was also seen during simulation. Simulation of Rhizomucor mehei lipase was also performed at an acidic pH for comparative analysis.
Title: Molecular Characterization and Diversity Analysis of Soybean Varieties Against Soybean Rhizoctonia Aerial Blight Resistance
Abstract :
Analysis of polymorphism among soybean varieties and determination of genetic relationship among soybean varieties differing in Rhizoctonia Aerial Blight (RAB) resistance, using Inter Simple Sequence Repeats (ISSR) marker and Random Amplified Polymorphic DNA (RAPD). In the present investigation carried out 20 ISSR primers amplified 174 markers. Out of them 122 loci were polymorphic 70.11% (6.1±0.52 average), while 52 loci were monomorphic 29.89% (2.6±0.27 average) and RAPD primer amplified 78 loci, out of them 61 loci were polymorphic 78.02% (6.1±0.44 average), while 17 loci were monomorphic 21.78% (1.7±0.44 average). A dendrogram was generated by UPGMA clusters analysis based on Jacquard’s similarity coefficient. Estimated genetic similarity among 18 soybean varieties using 20 ISSR primers, were 0.71 – 0.95. In this study, observed high level of polymorphism because low level of monomorphic band scored this type of markers system.