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https://www.readbyqxmd.com/read/28539733/molecular-docking-of-phytoligands-to-the-viral-protein-receptor-p-monodon-rab7
#1
Jerrine Joseph, Raj Bhaskaran, Muthusamy Kaliraj, Muthiyah Muthuswamy, Arumugam Suresh
The development of shrimp aquaculture has been severely affected by viral diseases resulting in a huge economic burden to the industry. White spot disease (WSD) has caused severe mortality in farmed shrimp in many countries. Globally aquaculture industries face huge economic losses due to rapid spread of White Spot Syndrome Virus (WSSV) disease that can cause 100% mortality in a short period of 3-10 days. In the present study in order to prevent the spread of WSSV disease in shrimps, the receptor, PmRab7 has been chosen as the drug target...
2017: Bioinformation
https://www.readbyqxmd.com/read/28539732/influence-of-pcos-in-obese-vs-non-obese-women-from-mesenchymal-progenitors-stem-cells-and-other-endometrial-cells-an-in-silico-biomarker-discovery
#2
Ashvini Desai, Inamul Hasan Madar, Amjad Hussain Asangani, Hussain Al Ssadh, Iftikhar Aslam Tayubi
Polycystic ovary syndrome (PCOS) is endocrine system disease which affect women ages 18 to 44 where the women's hormones are imbalance. Recently it has been reported to occur in early age. Alteration of normal gene expression in PCOS has shown negative effects on long-term health issues. PCOS has been the responsible factor for the infertility in women of reproductive age group. Early diagnosis and treatment can improve the women's health suffering from PCOS. Earlier Studies shows correlation of PCOS upon insulin resistance with significant outcome, Current study shows the linkage between PCOS with obesity and non-obese patients...
2017: Bioinformation
https://www.readbyqxmd.com/read/28539731/improved-annotations-of-23-differentially-expressed-hypothetical-proteins-in-methicillin-resistant-s-aureus
#3
Jessica Marklevitz, Laura K Harris
Antibiotic resistant Staphylococcus aureus is a major public health concern effecting millions of people annually. Medical science has documented completely untreatable S. aureus infections. These strains are appearing in the community with increasing frequency. New diagnostic and therapeutic options are needed to combat this deadly infection. Interestingly, around 50% of the proteins in S. aureus are annotated as hypothetical. Methods to select hypothetical proteins related to antibiotic resistance have been inadequate...
2017: Bioinformation
https://www.readbyqxmd.com/read/28479747/elucidation-of-the-sequential-transcriptional-activity-in-escherichia-coli-using-time-series-rna-seq-data
#4
Pui Shan Wong, Kosuke Tashiro, Satoru Kuhara, Sachiyo Aburatani
Functional genomics and gene regulation inference has readily expanded our knowledge and understanding of gene interactions with regards to expression regulation. With the advancement of transcriptome sequencing in time-series comes the ability to study the sequential changes of the transcriptome. Here, we present a new method to augment regulation networks accumulated in literature with transcriptome data gathered from time-series experiments to construct a sequential representation of transcription factor activity...
2017: Bioinformation
https://www.readbyqxmd.com/read/28479746/cloning-and-over-expression-of-non-coding-rna-rpra-in-e-coli-and-its-resistance-to-kanamycin-without-osmotic-shock
#5
Azita Sahni, Mohammadreza Hajjari, Jamshid Raheb, Ali Mohammad Foroughmand, Morteza Asgari
Recent reports have indicated that small RNAs have key roles in the response of the E.coli to stress and also in the regulating of virulence factors. It seems that some small non-coding RNAs are involved in multidrug resistance. Previous studies have indicated that rprA can increase the tolerance to Kanamycin in RcsB-deficient Escherichia coli K-12 following osmotic shock. The current study aims to clone and over-express the non-coding RNA rprA in E.coli and investigate its effect on the bacterial resistance to Kanamycin without any osmotic shock...
2017: Bioinformation
https://www.readbyqxmd.com/read/28479745/computational-study-of-hub-microrna-in-human-cardiac-diseases
#6
Remya Krishnan, Achuthsankar S Nair, Pawan K Dhar
MicroRNAs (miRNAs) are small non-coding RNAs ~22 nucleotides long that do not encode for proteins but have been reported to influence gene expression in normal and abnormal health conditions. Though a large body of scientific literature on miRNAs exists, their network level profile linking molecules with their corresponding phenotypes, is less explored. Here, we studied a network of 191 human miRNAs reported to play a role in 30 human cardiac diseases. Our aim was to study miRNA network properties like hubness and preferred associations, using data mining, network graph theory and statistical analysis...
2017: Bioinformation
https://www.readbyqxmd.com/read/28479744/high-throughput-virtual-screening-to-identify-novel-natural-product-inhibitors-for-methionyltrna-synthetase-of-brucella-melitensis
#7
Madhulata Kumari, Subhash Chandra, Neeraj Tiwari, Naidu Subbarao
The Brucella melitensis methionyl-tRNA-synthetase (MetRSBm) is a promising target for brucellosis drug development. The virtual screening of large libraries of a drug like molecules against a protein target is a common strategy used to identify novel inhibitors. A High throughput virtual screening was performed to identify hits to the potential antibrucellosis drug target, MetRSBm. The best inhibitor identified from the literature survey was 1312, 1415, and 1430. In the virtual screening 56,400 compounds of ChEMBL antimycobacterial library, 1596 approved drugs, 419 Natural product IV library, and 2396 methionine analogous were docked and rescoring, identified top 10 ranked compounds as anti-mycobacterial leads showing G-scores -10...
2017: Bioinformation
https://www.readbyqxmd.com/read/28479743/substitutional-analysis-of-orthologous-protein-families-using-blocks
#8
Parth Sarthi Sen Gupta, Shyamashree Banerjee, Rifat Nawaz Ul Islam, Vishma Pratap Sur, Amal K Bandyopadhyay
Orthologous proteins, form due to divergence of parental sequence, perform similar function under different environmental and biological conditions. Amino acid changes at locus specific positions form hetero-pairs whose role in BLOCK evolution is yet to be understood. We involve eight protein BLOCKs of known divergence rate to gain insight into the role of hetero-pairs in evolution. Our procedure APBEST uses BLOCK-FASTA file to extract BLOCK specific evolutionary parameters such as dominantly used hetero-pair (D), usage of hetero-pairs (E), non-conservative to conservative substitution ratio (R), maximally-diverse residue (MDR), residue (RD) and class (CD) specific diversity...
2017: Bioinformation
https://www.readbyqxmd.com/read/28405127/molecular-docking-analysis-of-uniprotkb-nitrate-reductase-enzyme-with-known-natural-flavonoids
#9
Ayub Shaik, Vishnu Thumma, Aruna Kumari Kotha, Sandhya Kramadhati, Jalapathy Pochampally, Seshagiri Bandi
The functional inference of UniProtKB nitrate reductase enzyme (UniProtKB - P0AF33) through structural modeling is of interest in plant biology. Therefore, a homology model for UniProtKB variant of the enzyme was constructed using available data with the MODELER software tool. The model was further docked with five natural flavonoid structures such as hesperetin, naringenin, leucocyanidin, quercetin and hesperetin triacetate using the AUTODOCK (version 4.2) software tool. The structure aided molecular interactions of these flavonoids with nitrate reductase is documented in this study...
2016: Bioinformation
https://www.readbyqxmd.com/read/28405126/nutritional-medicinal-and-toxicological-attributes-of-star-fruits-averrhoa-carambola-l-a-review
#10
REVIEW
Narmataa Muthu, Su Yin Lee, Kia Kien Phua, Subhash Janardhan Bhore
Plants are very complex organisms that produce medicinally important natural products. The Star-fruit producing plant (Averrhoa carambola L.) is a species of woody plant in the family Oxalidaceae native to the Philippines, Indonesia, Malaysia, Vietnam, India, Bangladesh and Sri Lanka; but, cultivated in many parts of the world. Star-fruits are popular tropical fruits and used commonly in Ayurvedic and Traditional Chinese Medicines (TCM) in India, China, and Brazil to relieve ailments such as chronic headache, fever, cough, gastro-enteritis, diarrhoea, ringworm infections, and skin inflammations...
2016: Bioinformation
https://www.readbyqxmd.com/read/28358146/structural-modelling-and-phylogenetic-analyses-of-pgeif4a2-eukaryotic-translation-initiation-factor-from-pennisetum-glaucum-reveal-signature-motifs-with-a-role-in-stress-tolerance-and-development
#11
Aakrati Agarwal, Yashwanti Mudgil, Saurabh Pandey, Dhirendra Fartyal, Malireddy K Reddy
Eukaryotic translation initiation factor 4A (eIF4A) is an indispensable component of the translation machinery and also play a role in developmental processes and stress alleviation in plants and animals. Different eIF4A isoforms are present in the cytosol of the cell, namely, eIF4A1, eIF4A2, and eIF4A3 and their expression is tightly regulated in cap-dependent translation. We revealed the structural model of PgeIF4A2 protein using the crystal structure of Homo sapiens eIF4A3 (PDB ID: 2J0S) as template by Modeller 9...
2016: Bioinformation
https://www.readbyqxmd.com/read/28356679/identification-and-analysis-of-insulin-like-peptides-in-nematode-secretomes-provide-targets-for-parasite-control
#12
Shachi Gahoi, Budhayash Gautam
Insulin-like (ins) peptides play an important role in development and metabolism across the metazoa. In nematodes, these are also required for dauer formation and longevity and are expressed in different types of neurons across various life stages which demonstrate their role in parasites and could become possible targets for parasite control. To date, many nematode genomes are publically available. However, a systematic screening of ins peptides across different nematode group has not been reported. In the present study, we systematically identified ins peptides in the secretomes of 73 nematodes with fully sequenced genomes covering five different groups viz...
2016: Bioinformation
https://www.readbyqxmd.com/read/28356678/net2align-an-algorithm-for-pairwise-global-alignment-of-biological-networks
#13
Priyanka Narad, Ankur Chaurasia, Gulshan Wadhwab, K C Upadhyayaa
The amount of data on molecular interactions is growing at an enormous pace, whereas the progress of methods for analysing this data is still lacking behind. Particularly, in the area of comparative analysis of biological networks, where one wishes to explore the similarity between two biological networks, this holds a potential problem. In consideration that the functionality primarily runs at the network level, it advocates the need for robust comparison methods. In this paper, we describe Net2Align, an algorithm for pairwise global alignment that can perform node-to-node correspondences as well as edge-to-edge correspondences into consideration...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293077/a-comparative-analytical-assay-of-gene-regulatory-networks-inferred-using-microarray-and-rna-seq-datasets
#14
Fereshteh Izadi, Hamid Najafi Zarrini, Ghaffar Kiani, Nadali Babaeian Jelodar
A Gene Regulatory Network (GRN) is a collection of interactions between molecular regulators and their targets in cells governing gene expression level. Omics data explosion generated from high-throughput genomic assays such as microarray and RNA-Seq technologies and the emergence of a number of pre-processing methods demands suitable guidelines to determine the impact of transcript data platforms and normalization procedures on describing associations in GRNs. In this study exploiting publically available microarray and RNA-Seq datasets and a gold standard of transcriptional interactions in Arabidopsis, we performed a comparison between six GRNs derived by RNA-Seq and microarray data and different normalization procedures...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293076/microarray-integrated-analysis-of-a-gene-network-for-the-cd36-myocardial-phenotype
#15
Imane Sabaouni, Brigitte Vannier, Ahmed Moussa, Azeddine Ibrahimi
CD36 is a multifunctional membrane-type receptor glycoprotein that reacts with oxidized low-density lipoprotein and long-chain fatty acid (LCFA). However, much remains to be understood about the molecular mechanism of the cardio-myopathy observed in CD36-KO mice. In this study, we identify different genes pathways involved in response to CD36 cardio-myopathy phenotype by identifying the differences among biological processes, molecular pathways and networks of interactions that emerge from knocking CD3 and using different bioinformatics tools such as STRING, GeneMANIA and Cytoscape...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293075/novel-aromatase-inhibitors-selection-using-induced-fit-docking-and-extra-precision-methods-potential-clinical-use-in-er-alpha-positive-breast-cancer
#16
Ranjith Kumavath, Manan Azad, Pratap Devarapalli, Sandeep Tiwari, Shreya Kar, Debmalya Barh, Vasco Azevedo, Alan Prem Kumar
Aromatase (CYP19A1) the key enzyme of estrogen biosynthesis, is often deregulated in breast cancer patients. It catalyzes the conversion of androgen to estrogen, thus responsible for production of estrogen in human body. However, it causes over-production of estrogen which eventually leads to proliferation of breast cancer cells. Identification of new small molecule inhibitors targeted against CYP19A1 therefore, facilitates to increase drug sensitivity of cancer cells. In this scenario, the present study aims to identify new molecules which could block or suppress the activity of aromatase enzyme by molecular docking studies using Schrödinger-Maestro v9...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293074/an-analysis-of-horseradish-peroxidase-enzyme-for-effluent-treatment
#17
Hanumalal Nunavath, Chandrasekhar Banoth, Venkateswar Rao Talluri, Bhima Bhukya
The present study explains computational methods to design thermostable horseradish peroxidase enzyme using the crystal structure available from Protein Data Bank (PDB ID: 6ATJ). Multiple mutations were introduced to the original enzyme and developed a model by using Modeler9.14. After designing the model functional effect was confirmed in terms of protein ligand binding by molecular docking using Autodock 4.2. The implementation of modeling steps is demonstrated in the context of performing mutations for particular amino acid residue on the ligand pocket of the horseradish peroxidase, to derive the desired ligand binding properties...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293073/virtual-screening-of-natural-compounds-as-inhibitors-of-egfr-696-1022-t790m-associated-with-non-small-cell-lung-cancer
#18
Mahesha Nand, Priyanka Maiti, Ragini Pant, Madhulata Kumari, Subhash Chandra, Veena Pande
Non-small cell lung cancer (NSCLC) is the most dominating and lethal type of lung cancer triggering more than 1.3 million deaths per year. The most effective line of treatment against NSCLC is to target epidermal growth factor receptor (EGFR) activating mutation. The present study aims to identify the novel anti-lung cancer compounds form nature against EGFR 696-1022 T790M by using in silico approaches. A library of 419 compounds from several natural resources was subjected to pre-screen through machine learning model using Random Forest classifier resulting 63 screened molecules with active potential...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293072/an-analysis-of-adenovirus-genomes-using-whole-genome-software-tools
#19
Padmanabhan Mahadevan
The evolution of sequencing technology has lead to an enormous increase in the number of genomes that have been sequenced. This is especially true in the field of virus genomics. In order to extract meaningful biological information from these genomes, whole genome data mining software tools must be utilized. Hundreds of tools have been developed to analyze biological sequence data. However, only some of these tools are user-friendly to biologists. Several of these tools that have been successfully used to analyze adenovirus genomes are described here...
2016: Bioinformation
https://www.readbyqxmd.com/read/28293071/identification-of-potential-leads-against-4-hydroxytetrahydrodipicolinate-synthase-from-mycobacterium-tuberculosis
#20
Ajijur Rehman, Salman Akhtar, Mohd Haris Siddiqui, Usman Sayeed, Syed Sayeed Ahmad, Jamal M Arif, M Kalim A Khan
4-hydroxy-tetrahydrodipicolinate synthase (DHDPS) is an important enzyme needed for the biosynthesis of lysine and many more key metabolites in Mycobacterium tuberculosis (Mtb). Inhibition of DHDPS is supposed to a promising therapeutic target due to its specific role in sporulation, cross-linking of the peptidiglycan polymers and biosynthesis of amino acids. In this work, a known inhibitor-based similarity search was carried out against a natural products database (Super Natural II) towards identification of more potent phyto-inhibitors...
2016: Bioinformation
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