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https://www.readbyqxmd.com/read/28729765/meta-analysis-study-to-evaluate-the-association-of-mthfr-c677t-polymorphism-with-risk-of-ischemic-stroke
#1
P A Abhinand, M Manikandan, R Mahalakshmi, P K Ragunath
Ischemic stroke is a condition characterized by reduced blood supply to part of the brain, initiating the ischemic cascade, leading to dysfunction of the brain tissue in that area. It is one of the leading causes of death and disability and is estimated to cause around 5.7 million deaths worldwide. Methyl tetra hydro-folate reductase (MTHFR) is a rate limiting enzyme in the methyl cycle which catalyzes the only biochemical reaction which produces 5, Methyl tetra hydro folate, the co-substrate for the re-methylation of homocystiene to produce methionine...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729764/deciphering-the-role-of-micrornas-in-brd4-nut-fusion-gene-induced-nut-midline-carcinoma
#2
Ekta Pathak, Bhavya, Divya Mishra, Neelam Atri, Rajeev Mishra
NUT midline carcinoma (NMC) is a very aggressive and lethal type of squamous epithelial cell cancer caused due to fusion of BRD4 and NUT genes. The gene fusion results into a new fusion protein that promotes oncogenesis. The detailed molecular mechanisms underlying the NMC are still not clear and new findings are urgently required to complement the current efforts. Abnormal microRNAs (miRNA) expression promotes tumour formation by modulating the functional expression of critical genes other than the parent genes involved in tumour cell proliferation or survival...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729763/serum-and-plasma-metabolomic-biomarkers-for-lung-cancer
#3
Nishith Kumar, Md Shahjaman, Md Nurul Haque Mollah, S M Shahinul Islam, Md Aminul Hoque
In drug invention and early disease prediction of lung cancer, metabolomic biomarker detection is very important. Mortality rate can be decreased, if cancer is predicted at the earlier stage. Recent diagnostic techniques for lung cancer are not prognosis diagnostic techniques. However, if we know the name of the metabolites, whose intensity levels are considerably changing between cancer subject and control subject, then it will be easy to early diagnosis the disease as well as to discover the drug. Therefore, in this paper we have identified the influential plasma and serum blood sample metabolites for lung cancer and also identified the biomarkers that will be helpful for early disease prediction as well as for drug invention...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729762/combination-of-bone-marrow-mesenchymal-stem-cells-and-cartilage-fragments-contribute-to-enhanced-repair-of-osteochondral-defects
#4
Mohammed Abbas
Cartilage tissue engineering using stem cells and biomaterials is considered a promising approach despite poor outcomes. We hypothesise that articular cartilage fragments provides native environmental cues to enhance stem cell differentiation. As such we evaluated the chondrogenic differentiation and repair of critical size defect in a human explant osteochondral model (OD) using bone marrow derived mesenchymal stem cells (BM-MSCs) and homogenised cartilage. BM-MSCs were established from the bone-marrow plugs of patients undergoing total knee arthroplasty and characterized...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729761/designing-of-a-penta-peptide-against-drug-resistant-e-coli
#5
Sachin Nagra, Deepak Kumar, Rajasri Bhattacharyya, Dibyajyoti Banerjee, Tapan Mukherjee
Drug resistant pathogens are vibrant global problem. Penicillin binding protein 5 (PBP5) plays important role in bacterial cell wall biosynthesis. Mutation in PBP5 is a well-known mechanism for development of drug resistant strain of bacteria. In this context we have designed a peptide that fits better at the ligand-binding site of mutant PBP5 compared to wild type PBP5. It is expected that the designed peptide will halt the growth of drug resistant pathogen harboring mutant variety of PBP5. We have recommended experimental validation of the above concept...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729760/structural-insight-into-the-binding-of-c60-derivatives-with-enoyl-pyruvate-transferase-from-helicobacter-pylori
#6
Mohammad Teimouri, Muhammad Junaid, Abbas Khan, Houjin Zhang
Helicobacter pylori (H. pylori) is a human pathogen associated with acute gastritis and peptic ulcer. The MurA enzyme is an important drug target for the identification of ligands with improved efficacy and acceptable pharmaco-kinetic properties. We developed a homology model of H. Pylori MurA followed by refinement and molecular dynamics (MD) simulations. A total of 16 C60-derivatives were docked and its docking score were compared. Some of the known inhibitors were also similarly characterized and compared...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729759/transcriptome-wide-identification-and-characterization-of-starch-branching-enzyme-in-finger-millet
#7
Rajhans Tyagi, Apoorv Tiwari, Vijay Kumar Garg, Sanjay Gupta
Starch-branching enzymes (SBEs) are one of the four major enzyme classes involved in starch biosynthesis in plants and play an important role in determining the structure and physical properties of starch granules. Multiple SBEs are involved in starch biosynthesis in plants. Finger millet is calcium rich important serial crop belongs to grass family and the transcriptome data of developing spikes is available on NCBI. In this study it was try to find out the gene sequence of starch branching enzyme and annotate the sequence and submit the sequence for further use...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729758/analysis-of-correlated-mutations-in-ras-g-domain
#8
Ekta Pathak
Ras GTPases are most prevalent proto-oncogenes in human cancer. Mutations in Ras remain untreatable more than three decades after the initial discovery. At the amino acid level, some residues under physical or functional constraints exhibit correlated mutations also known as coevolving/covariant residues. Revealing intra-molecular co-evolution between amino acid sites of proteins has become an emerging area of research as it enlightens the importance of variable regions. Here, I have identified and analyzed the coevolving residues in the Ras GTP binding domain (G-domain)...
2017: Bioinformation
https://www.readbyqxmd.com/read/28729757/protein-protein-interfaces-are-vdw-dominant-with-selective-h-bonds-and-or-electrostatics-towards-broad-functional-specificity
#9
Christina Nilofer, Anshul Sukhwal, Arumugam Mohanapriya, Pandjassarame Kangueane
Several catalysis, cellular regulation, immune function, cell wall assembly, transport, signaling and inhibition occur through Protein- Protein Interactions (PPI). This is possible with the formation of specific yet stable protein-protein interfaces. Therefore, it is of interest to understand its molecular principles using structural data in relation to known function. Several interface features have been documented using known X-ray structures of protein complexes since 1975. This has improved our understanding of the interface using structural features such as interface area, binding energy, hydrophobicity, relative hydrophobicity, salt bridges and hydrogen bonds...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690383/molecular-docking-based-screening-of-listeriolysin-o-for-improved-inhibitors
#10
Sara Ghafari, Matin Komeilian, Mohaddese Sadat Hashemi, Sareh Oushani, Garshasb Rigi, Behnam Rashidieh, Kamran Yarahmadi, Fatemeh Khoddam
Listeriolysine-O (LLO) is a 50KDa protein responsible for Listeria monocytogenes pathogenicity. The structure of LLO (PDB ID: 4CDB) with domains D1 to D4 is known. Therefore, it is of interest to identify conserved regions among LLO variants for destabilizing oligomerization (50 mer complex) of its monomers using appropriate inhibitors. Therefore, it is of interest to identify suitable inhibitors for inhibiting LLO. Previous reports suggest the use of flavanoids like compounds for inhibiting LLO. Our interest is to identify improved compounds to destabilize LLO oligomerization...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690382/qsar-based-predictive-modeling-for-anti-malarial-molecules
#11
Deepak R Bharti, Andrew M Lynn
Malaria is a predominant infectious disease, with a global footprint, but especially severe in developing countries in the African subcontinent. In recent years, drug-resistant malaria has become an alarming factor, and hence the requirement of new and improved drugs is more crucial than ever before. One of the promising locations for antimalarial drug target is the apicoplast, as this organelle does not occur in humans. The apicoplast is associated with many unique and essential pathways in many Apicomplexan pathogens, including Plasmodium...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690381/polymorphism-of-the-pai-1gene-4g-5g-may-be-linked-with-polycystic-ovary-syndrome-and-associated-pregnancy-disorders-in-south-indian-women
#12
Maniraja Jesintha Mary, Lakshmanan Saravanan, Munuswamy Deecaraman, Melantharu Vijayalakshmi, Vetrivel Umashankar, Jaigopal Sailaja
Polycystic Ovary syndrome (PCOS) is the most common endocrine disorder affecting 5 - 10% of all women of reproductive age group. The present research was carried out to study the impact of Plasminogen Activator Inhibitor (PAI-1) 4G/5G polymorphism (rs1799889) in PCOS, and the risk of developing PCOS in South Indian Population. The study was carried out in 60 subjects of South Indian population (30 PCOS and 30 Non PCOS) recruited from ARC Research and Fertility Centre, Chennai, India. Genotype and Allelic frequencies were compared by Fisher exact test, Hardy Weinberg equilibrium...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690380/identification-of-inhibitors-against-%C3%AE-isopropylmalate-synthase-of-mycobacterium-tuberculosis-using-docking-mm-pbsa-hybrid-approach
#13
Preeti Pandey, Andrew M Lynn, Pradipta Bandyopadhyay
α-Isopropylmalate Synthase (α-IPMS) encoded by leuA in Mycobacterium tuberculosis (M.tb) is involved in the leucine biosynthesis pathway and is extremely critical for the synthesis of branched-chain amino acids (leucine, isoleucine and valine). α-IPMS activity is required not only for the proliferation of M.tb but is also indispensable for its survival during the latent phase of infection. It is absent in humans and is widely regarded as one of the validated drug targets against Tuberculosis (TB). Despite its essentiality, any study on designing of potential chemical inhibitors against α-IPMS has not been reported so far...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690379/competitive-rational-inhibitor-design-to-4-maleylaceto-acetate-isomerase
#14
Narges Zolfaghari
Tyrosinemia type I is the result of genetic disorder in fomaryl acetoacetase gene that leads to 4-fumaryl acetoacetate accumulation. The current treatment for tyrosinemia type I is nitisinone that inhibits 4-hydroxyphenyl pyruvic dioxygenase in competitive manner. In the present study, we have designed two theoretical chemicals, which could inhibit the direct enzyme responsible for fumarylacetoacetate formation. Subset 2_p.0.5 from Zinc database was screened by PyRx software using a Lamarckian genetic algorithm as the scoring function for docking...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690378/molecular-docking-analysis-of-nitisinone-with-homogentisate-1-2-dioxygenase
#15
Narges Zolfaghari
Alkaptonuria is an inherited disease that is caused by homogenticate accumulation. Deficiency or mutation in Homogentisate 1,2 dioxygenase gene (chromosome 3q21-q23) leads to production of incorrectly folded or truncated enzyme. Several studies indicated that competitive inhibitors of Homogentisate 1,2 dioxygenase like Nitisinone could be used for Alkaptonuria treatment. Therefore, it is of interest to design better inhibitors of the enzyme. We used subset 3_p.0.5 from Zinc database as the virtual screening library by PyRx software relaying on Lamarckian genetics algorithm...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690377/dengue-symptoms-significance-in-anti-dengue-drug-development-road-less-travelled
#16
Anubrata Paul, Arpana Vibhuti
Dengue outbreak has affected rural areas of Delhi-NCR, Haryana widely but it lacks in surveillance. High cases of dengue symptoms were reported in these regions whereas dengue symptoms have been a neglected issue in the anti-dengue drug development. Therefore, this study aims to analyze the status of the dengue infection, a rural issue of Delhi-NCR, Haryana and to identify the significance of dengue symptoms in anti-dengue drug development. The study was conducted when there is high chance of dengue infection i...
2017: Bioinformation
https://www.readbyqxmd.com/read/28690376/linear-epitope-prediction-in-hpv-type-16-e7-antigen-and-their-docked-interaction-with-human-tmem-50a-structural-model
#17
Upasna Srivastava, Satendra Singh, Budhyash Gautam, Pramod Yadav, Madhu Yadav, George Thomas, Gurmit Singh
Human Papilloma Virus (HPV) HPV type 16 E7 antigen is a known target in cervical cancer. We report the predicted potential epitopes in the E7 antigen. We further describe the subsequent interaction of these linear epitope peptides with the human TMEM 50 A structural model using molecular docking. This data finds application in the development of components towards HPV associated disease prevention.
2017: Bioinformation
https://www.readbyqxmd.com/read/28642636/nucleotide-composition-determines-the-role-of-translational-efficiency-in-human-genes
#18
Binata Halder, Arup Kumar Malakar, Supriyo Chakraborty
The basic sequence features were analysed that influence gene expression via codon usage bias of the selected forty coding sequences of Homo sapiens in a simple prokaryotic model i.e. E. coli K-12 genome. The prime objective was to elucidate the interrelationships among tRNA gene copy numbers, synonymous codons, amino acids and translational efficiency using tRNA adaptation index. It was evident from RSCU scores and principal component analysis, that only those preferred codons were used by the isoacceptor tRNAs that had G and C base at their third codon position...
2017: Bioinformation
https://www.readbyqxmd.com/read/28642635/virtual-screening-following-rational-drug-design-based-approach-for-introducing-new-anti-amyloid-beta-aggregation-agent
#19
Garshasb Rigi, Mohammad Vala Ashdar Nakhaei, Hoda Eidipour, Arshia Najimi, Fahimeh Tajik, Niloufar Taher, Kamran Yarahmadi
Amyloid β (Aβ) sheets aggregations is the main reason of Alzheimer disease. The interacting areas between monomers are residue number 38 to 42. Inhibition of interaction between Aβ molecules prevents plaque formation. In the present study, we have performed a high-throughput virtual screening among ZINC database and top 1000 hits were checked again regarding binding affinity by AutoDock software. Top 4 successive second step screening hits was considered for drug design purpose against aggregation site of Aβ molecules...
2017: Bioinformation
https://www.readbyqxmd.com/read/28642634/analysis-of-map-kinase-mpk4-mekk1-mkk-genes-of-carica-papaya-l-comparative-to-other-plant-homologues
#20
Muhammad Hanam Hamid, Lina Rozano, Wee Chien Yeong, Janna Ong Abdullah, Noor Baity Saidi
Mitogen-activated protein kinase 4 (MPK4) interacts with the (Mitogen-activated protein kinase kinase kinase 1) MEKK1/ Mitogenactivated protein kinase kinase 1 (MKK1)/ Mitogen-activated protein kinase kinase 2 (MKK2) complex to affect its function in plant development or against pathogen attacks. The KEGG (Kyoto Encyclopedia of Genes and Genomes) network analysis of Arabidopsis thaliana revealed close interactions between those four genes in the same plant-pathogen interaction pathway, which warrants further study of these genes due to their evolutionary conservation in different plant species...
2017: Bioinformation
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