Telematics Integrated System to Perform Drugs Prescription and Administration Reducing Adverse Drug Events.
Telematics integrated system to perform drugs prescription and administration reducing adverse drug events.
Filed under: Drug and Alcohol Rehabilitation
Conf Proc IEEE Eng Med Biol Soc. 2012 Aug; 2012: 6082-5
Iadanza E, Pettenati MC, Bianchi L, Turchi S, Ciofi L, Pirri F, Gentili GB, Giuli D
In this paper we present PHARMA 2.0 a telematics integrated system aimed at reducing Adverse Drug Events (ADEs) in the phases of drug prescription, transcription, distribution and administration. The proposed system is grounded on three sub-systems: a CPOE (Computerized Prescription Order Entry), an RFID-based drug container and dispenser and a middleware system. The visualization and management of prescription and administration data are handled through a web application designed to comply with international usability regulation.
HubMed – drug
A multibody atomic statistical potential for the prediction of enzyme-inhibitor binding energy.
Filed under: Drug and Alcohol Rehabilitation
Conf Proc IEEE Eng Med Biol Soc. 2012 Aug; 2012: 5526-9
Masso M
Accurate prediction of enzyme-inhibitor binding energy has the capacity to speed drug design and chemical genomics efforts by helping to narrow the focus of experiments. Here a non-redundant set of three hundred high-resolution crystallographic enzyme-inhibitor structures was compiled for analysis, complexes with known binding energies (?G) based on the availability of experimentally determined inhibition constants (ki). Additionally, a separate set of over 1400 diverse high-resolution macromolecular crystal structures was collected for the purpose of creating an all-atom knowledge-based statistical potential, via application of the Delaunay tessellation computational geometry technique. Next, two hundred of the enzyme-inhibitor complexes were randomly selected to develop a model for predicting binding energy, first by tessellating structures of the complexes as well as the enzymes without their bound inhibitors, then by using the statistical potential to calculate a topological score for each structure tessellation. We derived as a predictor of binding energy an empirical linear function of the difference between topological scores for a complex and its isolated enzyme. A correlation coefficient (r) of 0.79 was obtained for the experimental and calculated ?G values, with a standard error of 2.34 kcal/mol. Lastly, the model was evaluated with the held-out set of one hundred complexes, for which structure tessellations were performed in order to calculate topological score differences, and binding energy predictions were generated from the derived linear function. Calculated binding energies for the test data also compared well with their experimental counterparts, displaying a correlation coefficient of r= 0.77 with a standard error of 2.50 kcal/mol.
HubMed – drug
Development of multi-compartment model of the liver using image-based meshing software.
Filed under: Drug and Alcohol Rehabilitation
Conf Proc IEEE Eng Med Biol Soc. 2012 Aug; 2012: 5522-5
Barthod-Malat A, Kopylova V, Podoprigora GI, Nartsissov YR, Angoue O, Young PG, Crolet JM, Blagosklonov O
Computer simulation of biological systems for in silico validation has the potential of increasing the efficiency of pharmaceutical research and development by expanding the number of parameters tested virtually. Then only the most interesting subset of these has to be probed in vivo. By focusing on variables with the greatest influence on clinical end points, valuable drug targets can be advanced more quickly. A large number of methods have been developed to rebuild a three-dimensional (3D) model of a liver, mostly to prepare a liver surgery. These models are often not accurate and most of the them don’t take into account the fluidics inside the vessels.
HubMed – drug
Supporting reconstruction of the blood vessel network using graph theory: An abstraction method.
Filed under: Drug and Alcohol Rehabilitation
Conf Proc IEEE Eng Med Biol Soc. 2012 Aug; 2012: 5470-3
Bossard A, Kato T, Masuda K
The blood vessel network (BVN) has a complex structure. As this structure is unique for each individual, it is not possible to establish a general model for the BVN. However, many medical applications do rely on this structure. For example, a drug delivery system would be greatly improved if it could control the drug flow towards destination. To address this BVN structure issue, several reconstruction methods have been introduced. In this paper, we describe an abstraction method supporting BVN reconstruction by using graph theory. Starting from an original BVN reconstruction, we define the so-called induced graph of that reconstruction, allowing for an efficient analysis. By applying this method, we were able to improve an original BVN reconstruction of a human kidney by pointing out probable errors inside that original reconstruction.
HubMed – drug
Revealing the dynamic modularity of composite biological networks in breast cancer treatment.
Filed under: Drug and Alcohol Rehabilitation
Conf Proc IEEE Eng Med Biol Soc. 2012 Aug; 2012: 5432-6
Dimitrakopoulou K, Dimitrakopoulos G, Zacharaki EI, Maraziotis IA, Sgarbas K, Bezerianos A
A major challenge in modern breast cancer treatment is to unravel the effect of drug activity through the systematic rewiring of cellular networks over time. Here, we illustrate the efficacy and discriminative power of our integrative approach in detecting modules that represent the regulatory effect of tamoxifen, widely used in anti-estrogen treatment, on transcriptome and proteome and serve as dynamic sub-network signatures. Initially, composite networks, after integrating protein interaction and time series gene expression data between two conditions (estradiol and estradiol plus tamoxifen), were constructed. Further, the Detect Module from Seed Protein (DMSP) algorithm elaborated on the graphs and constructed modules, with specific ‘seed’ proteins used as starting points. Our findings provide evidence about the way drugs perturb and rewire the high-order organization of interactome in time.
HubMed – drug
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