• Title/Summary/Keyword: structure discovery

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A study on Inference Network Based on the Resilient Ontology-based Dynamic Multicast Routing Protocol (상황인식 기반의 RODMRP 추론망 연구)

  • Kim, Sun-Guk;Chi, Sam-Hyun;Lee, Kang-Whan
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.11 no.6
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    • pp.1214-1221
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    • 2007
  • Ad-hoc network is soft wireless communication network that is consisted of mobile node and clusters without helping of infrastructure. We propose a new ad hoc multicast routing protocol for based on the ontology scheme called inference network. Ontology knowledge-based is one of the structure of context-aware. Proposed structure is consisted of context awareness parameters as like distance between each nodes. The proposed architecture performs two types of routing discovery. One is Flooding Discovery Routing(FDR) for comparing analysis step and Local Discovery Routing(LDR) to compose path of node forecast(preservation) step from node's state value. The inference network structure of proposed RODMRP(Resilient Ontology-based Dynamic Multicast Routing Protocol) adopts a tree structure to enhance an efficient packet in various environment between mobile node. We will have developed an algorithm that will desist multi-hierarchy Layered networks to simulate a desired system.

The Identification of Binding Mode for Arabidopsis thaliana 7-Keto-8-aminopelargonic Acid Synthase (AtKAPAS) Inhibitors

  • Cho, Jae-Eun;Kang, Sun-Young;Choi, Jung-Sup;Ko, Young-Kwan;Hwang, In-Taek;Kang, Nam-Sook
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1597-1602
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    • 2012
  • In this study, we determined the 3D-structure of Arabidopsis thaliana KAPAS by homology modeling. We then investigated the binding mode of compounds obtained from in-house library using computational docking methods. From the flexible docking study, we achieved high dock scores for the active compounds denoted in this study as compound $\mathbf{3}$ and compound $\mathbf{4}$. Thus, we highlight the flexibility of specific residues, Lys 312 and Phe 172, when used in active sites.

Glycoscience aids in biomarker discovery

  • Hua, Serenus;An, Hyun-Joo
    • BMB Reports
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    • v.45 no.6
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    • pp.323-330
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    • 2012
  • The glycome consists of all glycans (or carbohydrates) within a biological system, and modulates a wide range of important biological activities, from protein folding to cellular communications. The mining of the glycome for disease markers represents a new paradigm for biomarker discovery; however, this effort is severely complicated by the vast complexity and structural diversity of glycans. This review summarizes recent developments in analytical technology and methodology as applied to the fields of glycomics and glycoproteomics. Mass spectrometric strategies for glycan compositional profiling are described, as are potential refinements which allow structure-specific profiling. Analytical methods that can discern protein glycosylation at a specific site of modification are also discussed in detail. Biomarker discovery applications are shown at each level of analysis, highlighting the key role that glycoscience can play in helping scientists understand disease biology.

Histoculture drug response assay in Human colorectal cancer patients of novel Pt(IV) complex. K101 and nephrotoxicity test in ICR mice renal proximal tubular cells

  • Kwon, Young-Ee;Lee, Hwa-Jung;Kang, Jeong-Ho;Kim, Kuk-Hwan;Kim, Won-Kyu;No, Yi-Ran;Kim, Moon-Bo
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.276.1-276.1
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    • 2002
  • It is well known that cisplatin. one of chemotherapeutic agents. induces DNA damage and kill cancer cells mainly by apoptosis. We recently synthesized a novel Pt(IV)-based anticancer agent. trans.cis-Pt(acetato)2C12(1.4-butanediamine) (K101) with octahedral structure. To evaluate antitumor activity about human cancer of K101, we have performed histoculture drug response assay in 35 cases of colorectal cancer patients. (omitted)

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Discovery of a Novel 2,6-Difunctionalized 2H-Benzopyran Inhibitors Toward Sphingosylphosphorylcholine Synthetic Pathway as New Anti-inflammatory Target

  • Lee, Gee-Hyung;Lee, Seong Jin;Jeong, Dae Young;Kim, Ha-Young;Lee, Doohyun;Lee, Taeho;Hwang, Jong-Yeon;Park, Woo Kyu;Kong, Jae-Yang;Cho, Heeyeong;Gong, Young-Dae
    • Bulletin of the Korean Chemical Society
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    • v.35 no.8
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    • pp.2385-2390
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    • 2014
  • Novel 2,6-difuctionalized 2H-benzopyrans were synthesized and evaluated for a sphingosylphosphorylcholine(SPC) inhibitor. The synthetic 2H-benzopyrans 1c and 3a showed high potency in SPC-induced cell proliferation assay ($IC_{50}$ < 20 nM). Neither hERG $K^+$ channel binding (> $10{\mu}M$) nor CYP inhibitions (> $10{\mu}M$) were observed. Also, the simple structure-activity relationship (SAR) results were obtained from analysis of 2H-benzopyran derivatives 1-3 and the anti-SPC effect of 2H-benzopyran 1c was confirmed by a HUVEC tube formation assay.

Web Service Discovery based on Process Information and QoS (프로세스 정보와 QoS를 고려한 웹 서비스 발견)

  • You So-Yeon;Yu Jeong-Youn;Lee Kyu-Chul
    • The Journal of Society for e-Business Studies
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    • v.10 no.3
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    • pp.85-110
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    • 2005
  • OWL-S has a major leadership in the field of Web Service discovery and is being actively studied in LARKS and METEOR-S projects. These researches do not consider all components of OWL-S standards, and it is needed to enhance their discovery algorithms. In this paper, we propose matching algorithms based on process information such as process structure matching, service classification matching and business pattern matching algorithms. We also improve the QoS matching algorithm of METEOR-S project. Finally, we integrate these two kinds of matching algorithms as accommodate users preferences.

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Natural radioprotectors and their impact on cancer drug discovery

  • Kuruba, Vinutha;Gollapalli, Pavan
    • Radiation Oncology Journal
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    • v.36 no.4
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    • pp.265-275
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    • 2018
  • Cancer is a complex multifaceted illness that affects different patients in discrete ways. For a number of cancers the use of chemotherapy has become standard practice. Chemotherapy is a use of cytostatic drugs to cure cancer. Cytostatic agents not only affect cancer cells but also affect the growth of normal cells; leading to side effects. Because of this, radiotherapy gained importance in treating cancer. Slaughtering of cancerous cells by radiotherapy depends on the radiosensitivity of the tumor cells. Efforts to improve the therapeutic ratio have resulted in the development of compounds that increase the radiosensitivity of tumor cells or protect the normal cells from the effects of radiation. Amifostine is the only chemical radioprotector approved by the US Food and Drug Administration (FDA), but due to its side effect and toxicity, use of this compound was also failed. Hence the use of herbal radioprotectors bearing pharmacological properties is concentrated due to their low toxicity and efficacy. Notably, in silico methods can expedite drug discovery process, to lessen the compounds with unfavorable pharmacological properties at an early stage of drug development. Hence a detailed perspective of these properties, in accordance with their prediction and measurement, are pivotal for a successful identification of radioprotectors by drug discovery process.

A comparison of three design tree based search algorithms for the detection of engineering parts constructed with CATIA V5 in large databases

  • Roj, Robin
    • Journal of Computational Design and Engineering
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    • v.1 no.3
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    • pp.161-172
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    • 2014
  • This paper presents three different search engines for the detection of CAD-parts in large databases. The analysis of the contained information is performed by the export of the data that is stored in the structure trees of the CAD-models. A preparation program generates one XML-file for every model, which in addition to including the data of the structure tree, also owns certain physical properties of each part. The first search engine is specializes in the discovery of standard parts, like screws or washers. The second program uses certain user input as search parameters, and therefore has the ability to perform personalized queries. The third one compares one given reference part with all parts in the database, and locates files that are identical, or similar to, the reference part. All approaches run automatically, and have the analysis of the structure tree in common. Files constructed with CATIA V5, and search engines written with Python have been used for the implementation. The paper also includes a short comparison of the advantages and disadvantages of each program, as well as a performance test.

In-silico Modeling of Chemokine Receptor CCR2 And CCR5 to Assist the Design of Effective and Selective Antagonists

  • Kothandan, Gugan;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.5 no.1
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    • pp.32-37
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    • 2012
  • Chemokine receptor antagonists have potential applications in field of drug discovery. Although the chemokine receptors are G-protein-coupled receptors, their cognate ligands are small proteins (8 to 12 kDa), and so inhibiting the ligand/receptor interaction has been challenging. The application of structure-based in-silico methods to drug discovery is still considered a major challenge, especially when the x-ray structure of the target protein is unknown. Such is the case with human CCR2 and CCR5, the most important members of the chemokine receptor family and also a potential drug target. Herein, we review the success stories of combined receptor modeling/mutagenesis approach to probe the allosteric nature of chemokine receptor binding by small molecule antagonists for CCR2 and CCR5 using Rhodopsin as template. We also urged the importance of recently available ${\beta}2$-andrenergic receptor as an alternate template to guide mutagenesis. The results demonstrate the usefulness and robustness of in-silico 3D models. These models could also be useful for the design of novel and potent CCR2 and CCR5 antagonists using structure based drug design.