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In the study, it was aimed to investigate the bactericidal activity of antimicrobial photodynamic therapy (aPDT) performed on in-vitro conditions with novel cationic-porphyrin derivatives (CPDs) on multidrug resistant E. coli. In aPDT experiments performed with different concentrations of photosensitizer and different energy densities, 99.9999% or more decrease in bacterial survival was detected....
Computational drug designing represents a new approach towards drug discovery. In this study, structure based drug design was used to find an antibiofilm agent to suppress Pseudomonas aeruginosa biofilm production in venous catheters and artificial hip prosthesis. PelD protein was chosen as a target protein for this process as it dominates exopolysaccharide matrix formation and compactness of biofilm...
Aloe vera has an immense role as a natural fighter against all kinds of infection. This is an effective wound healing activator and an efficient anti-oxidant to all type of digestion related problems, arthritis, stress, diabetes, cancer and AIDS. The present study attempts to reveal the multi therapeutic properties of Aloe vera by computational analysis. The interaction analysis of the some of the...
Identifying possible viral-host protein-protein interactions is an important and useful approach in developing new drugs targeting those interactions. In this article, a recently published dataset containing records of interactions between a set of HIV-1 proteins and a set of human proteins has been analyzed using association rule mining. The main objective is to identify a set of association rules...
Removal or suppression of key proteins in an essential pathway of a pathogen is expected to disrupt the pathway and prohibit the pathogen from performing a vital function. Thus disconnecting multiple essential pathways should disrupt the survival of a pathogen even when it has multiple pathways to drug resistance. We consider a scenario where the drug-resistance pathways are unknown. To disrupt these...
Following the availability of whole genome sequence of Mycobacterium tuberculosis (MTB) in public database, the anticipation of its benefits would definitely falls into the contribution towards development of improved vaccine or drug discovery to fight against the fatal disease, tuberculosis (TB). This research aimed to scan the whole genome sequence of MTB by application of bioinformatics approaches...
Computational structure prediction, including de novo and homology modeling, is an important tool for membrane protein studies. Developing an accurate scoring function that can be used for structure discrimination and assessment remains a challenge. In our previous work, we have analyzed a set of high-resolution membrane protein structures using the network approach developed in our lab and proposed...
The neuraminidase of the influenza virus is the target of the anti-flu drugs oseltamivir and zanamivir. Clinical practices show that zanamivir and oseltamivir are effective to treat the 2009 H1N1 influenza virus. Herein, we report the findings of molecular simulations for zanamivir, oseltamivir, and Chinese natural herb products with the neuramindase of the 2009 H1N1 influenza. Our approach theoretically...
Measuring drug resistance is one of the challenging and essential pharmaceutical activities. It is a laborious and costly laboratory-based experimentation. Various clinical and experimental analyses for measuring drug resistance have been carried out. Results have been obtained for different types of therapeutic agents as a consequence of changes in the amino acids compositions in the sequence (mutation)...
This paper shows how a game theoretical analysis can provide a model to determine the factors affecting the switch from CXCR4 coreceptor (X4) to CCR5 coreceptor (R5) in HIV-1 infected individuals. Simulations of the model predict that a persistent immune response suppresses the X4-tropic virus to a low level at first, but later increases in the immune response will trigger the switch from X4 to R5...
The following topics have been dealt with: middlewares; neurophysiology; biomedical imaging; medical image processing; genetics; genomics; proteins; proteomics; electronic health records; health information systems; cancer; ontology; support systems; data mining; biological organs; stents; drugs; medical diagnosis; health care information management; blood; cellular biophysics; microorganisms; biological...
In this study, the gene encoding purine nucleoside phosphorylase (PNPase) from Bacillus subtilis W168 was identified, cloned and expressed in Bacillus subtilis AG208. The gene encodes a polypeptide of 233 amino acids with a calculated molecular weight of 25,018 Da. The enzyme activity of the recombinant protein (AGPNP) was analyzed by temperature and pH perturbation difference spectra. Results showed...
HIV-1 integrase (IN)-catalyzed strand transfer is a divalent cationic cofactor dependent reaction which involves IN-DNA interaction. In this work, viral DNA substrates with different lengths were used. The strand transfer activity of IN with these DNA substrates in the presence of Mn2+ and Mg2+ were investigated, as well as some other reaction characters related with IN-DNA interaction. It is found...
The objective of this study is to utilize the protein VP1 of Enterovirus 71 from clinical specimens of children with hand-foot-and-mouth disease (HFMD) to prepare the polyclonal antibody (pAb), prevented the viral infection. RNA got out from the diachorema of the sufferer was amplified by RT-PCR and nested PCR. The viral capsid protein (VP1) cDNA was inserted into the vector PET32a(+), an expression...
Human immunodeficiency virus type 1 (HIV-1) integrase (IN) is an essential enzyme in the lifecycle of this virus and also an important target for the study of anti-HIV drugs. The binding modes of the wild type IN core domain and the W132G mutant with the hydroxycoumarin compound NSC158393 were investigated by using the "relaxed complex" molecular docking approach and molecular dynamics (MD)...
The purpose of this study is to investigate the relationship between the content of serum interleukin 12 p70 (IL-12 p70) and the growth of sarcoma 180(S180) in mice with S180 after injected with the combined bacterin. After transplanted with S180 in mice, all mice were divided into five groups by completely random design (ie, three groups injected with different single bacterin separately, one group...
Antibiotics have recently been shown to play a role as signaling molecules besides bacterial killing or growth inhibition. To understand antibiotic regulatory networks in bacteria, we investigated Pseudomonasaeruginosa gene expression profiles in response to subinhibitory concentrations of six antibiotics (ampicilin, kanamycin, chloramphenicol, tetracycline, erythromycin, ciprofloxacin) by using...
Hirudin has been well-characterized to be the strongest thrombin inhibitor with no affinity for other peptidases. Hirudin from natural sources is inefficient due to its low abundance in medicinal leech (Hirudo medicinalis). Though recombinant hirudin has been made by many laboratories, technical difficulties have limited recombinant hirudin from being used clinically. One of the difficulties is the...
Signal transduction pathways are central to most biological processes. Diversion of such pathways is postulated to be central to the mechanism by which the Human Immunodeficiency Virus-1 (HIV) takes over the human cellular machinery. In this paper, we present an analysis of the interactions between HIV and human signal transduction pathways. We find that the majority of known human pathways are targeted...
beta-lactam antibiotics are the most commonly used antibiotics which cause bacterial cell lysis by inhibiting the enzyme responsible for the cell wall synthesis. Production of beta-lactamase enzyme, which catalyzes the hydrolysis of beta-lactam ring of beta-lactam antibiotics is the most common mechanism of bacterial resistance. beta-Lactamase Inhibitory Protein (BLIP), is an effective inhibitor of...
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