• 조형예술학연구
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• 제7권
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• pp.185-205
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• 2005

This study is about the aesthetic function of product design. On the basis of aesthetic characteristics inside the products, the main purpose of this study lies in the interpretation of aesthetic function in terms of provider and receptor. To interpret the aesthetic function of product design, many attempts had been made with theorists who studied the aesthetic function in product modeling. Especially, this study is systemized from Haug's product aesthetic criticism to Vershofen, Loewy, Villeger, Buerdeck, Packard and Sombart's interpretation. Under the point of view of both provider and receptor, this study analyzes the different characteristics of interpretation on the basis of above theorist's concept. This analysis is able to demonstrate the rationales of the demands in current prestigious design and understanding of concrete design principals. Accordingly, the future study will be proceeded with interpretation of aesthetics functions in prestigious design.

• 대한약학회:학술대회논문집
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• 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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• pp.176.2-176.2
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• 2003

Transcription factors (TF) can bind tightly to specific DNA lesions formed by some anticancer agents. The formation these TF:(drug-modified DNA) complex may disrupt expression of genes critical for cell survival, and it was proved to be one of biochemical mechanisms of anticancer activity. Based on this model, we have designed programmable DNA Alkylating agents that can also attract TF, especially nuclear receptors. As a model compound, we designed drug molecules, RA-mustard and Am580-mustard, that enable to bind both retinoic acid receptor (RAR) and DNA by using molecular modeling techniques, and synthesized them by connecting chlorambucil and ligand for RAR with a linker unit. (omitted)

• 대한약학회:학술대회논문집
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• 대한약학회 2000년도 NEW STRATEGY FOR DRUG DEVELOPMENT IN POST-GENOMIC ERA(대한약학회)
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• pp.127.3-128
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• 2000

• Bulletin of the Korean Chemical Society
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• 제17권2호
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• pp.182-188
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• 1996

Early attempts to identify plausible conformations of a linear octapeptide hormone, angiotensin-II (Asp-Arg-Val-Tyr-Ile-His-Pro-Phe), using various theoretical and experimental methods, have led to various conformational models. So far, no consensus has been made about the solution phase structure and the receptor binding structure of angiotensin-II. The ultimate goal for the conformation study of the peptide hormone is to develop a new potent drug. Therefore, we have devised a strategy for designing the pharmacophore by studying thermodynamically possible conformations of various kinds of angiotensin-II antagonists and angiotensin-II.

• 한국대기환경학회지
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• 제8권4호
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• pp.229-239
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• 1992

A receptor model application was performed by using a chemical mass balance (CMB) model to identify and apportion the specific source of airborne organic pollutants, particularly polynuclear aromatic hydrocarbons (PAHs). Source profiles of PAHs produced from the combustion of fossil fuels for CMB modeling were prepared by measuring them in emission gases. The emission sources which were examineed for the development of PAH source profiles are a coal-fired furnace using Yontan, a bunker-C iol heating boiler, and gasoline-and diesel engine automobiles. The ambient concentrations of PAHs were determined at four sites in Daejon city in 1991 with a seasonal variation. Wintertime air samples contained more extractable organic matter than summertime samples. The results of CMB modeling were various depending on the sampling sites and seasons, but the emission from bunker-C oil heating boliers was the predominant factor to affect local air quality throughout the year.

• 한국대기환경학회지
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• 제22권1호
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• pp.135-143
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• 2006

The objective of this study is to develop PSCF (potential source contribution function) program and determine the optimal values of control parameters to enhance the prediction of PSCF modeling. This study provides an important information and methodologies that can be used to get better results of locating influencing sources, especially unknown and fugitive sources. To determine proper values of control parameters in PSCF model, the diagnostic assessment on the results obtained by the various input conditions was carried out. PSCF model has created and improved from version 1.0 to version 7.0 since 200 I and the measured data (at least > 100) of receptor, and the values of control input parameters should be arranged and determined to obtain reliable results in PSCF modeling. The size of modeling domain must be determined to include enough trajectories to get reliable results. And the size of grid is recommended to be 2.5 $\sim$ 5 degrees for global scale, 0.2 $\sim$ 1 degrees for regional scale and 0.05 degree for local scale.

• Korean Chemical Engineering Research
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• 제57권1호
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• pp.90-104
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• 2019

본 연구에서는 시간별 실제 기상데이터를 토대로 한 CALPUFF 모델링 수행을 통하여 민원지역에 대한 신뢰성이 있는 모델링 결과를 도출하였다. 무창형 계사 P1 및 P2의 방진망 구조물(chamber) 및 개방형 계사 P3로부터의 오염원 배출 및 확산거동을, 부피오염원으로서의 CALPUFF 모델링 또는 각 방향의 배출면적을 가중치로 한 수직 배기의 평균 선속도인 모델 배출 선속도($u^M_y$)를 적용한 점오염원으로서의 최종 CALPUFF 모델링으로 구현하였다. 또한 계사 P1, P2 및 P3에서의 배출되는 악취 및 분진오염원 배출량에 대한 각각의 제거효율(0, 20, 50 및 80%) 또는 각각 대응되는 emission rate (100, 80, 50 및 20%)에 따른 시나리오를 기본으로, CALPUFF 모델링을 수행하여 각각에 대한 민원지역의 농도예측을 수행하였다. 이러한 민원지역에 대한 암모니아, 황화수소, $PM_{2.5}$ 및 $PM_{10}$에 대한 농도예측과 악취방지법 및 대기환경법에서 요구되는 오염물질 농도와 비교하여, 계사 P1, P2 및 P3에 요구되는 암모니아, 황화수소, $PM_{2.5}$ 및 $PM_{10}$에 대한 제거율을 산정하였다. 그 결과로서, "P1, P2 및 P3에서 각각의 배출농도를 줄인 비율만큼 각각의 discrete receptor에서의 농도가 같은 비율로 감소한다"는 가정(a priori assumption)이 본 CALPUFF 모델링 범위 내에서 적용 가능함이 입증되었다. 한편 부피오염원을 적용한 CALPUFF 모델링을 수행한 경우에서 방지시설의 요구되는 제거효율은, 점오염원을 적용한 CALPUFF 모델링을 수행한 경우와 비교하였을 때에 P1의 경우에는 상호간에 유사하였으나, P2와 P3에서 암모니아와 $PM_{10}$의 경우에 더 높게 나타났다. 그럼에도 불구하고 민원해결을 위한 안전한 접근방법으로서 부피오염원으로서 CALPUFF 모델링을 선정하였다. 이에 따라서 본 연구에서는 암모니아, 황화수소, $PM_{2.5}$ 및 $PM_{10}$와 같은 오염원배출에 대하여 무창형 계사 P1 및 P2에 요구되는 정량적 방지수준을 타당하게 도출하였다.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2004년도 The 3rd Annual Conference for The Korean Society for Bioinformatics Association of Asian Societies for Bioinformatics 2004 Symposium
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• pp.221-233
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• 2004

Molecular docking falls into the general category of global optimization problems since its main purpose is to find the most stable complex consisting of a receptor and its ligand. Conformational space annealing (CSA), a powerful global optimization method, is incorporated with the Tinker molecular modeling package to perform molecular docking simulations of six receptor-ligand complexes (3PTB, 1ULB, 2CPP, 1STP, 3CPA and 1PPH) from the Protein Data Bank. In parallel, Monte Carlo with minimization (MCM) method is also incorporated into the Tinker package for comparison. The energy function, consisting of electrostatic interactions, van der Waals interactions and torsional energy terms, is calculated using the AMBER94 all-atom empirical force field. Rigid docking simulations for all six complexes and flexible docking simulations for three complexes (1STP, 3CPA and 1PPH) are carried out using the CSA and the MCM methods. The simulation results show that the docking procedures using the CSA method generally find the most stable complexes as well as the native -like complexes more efficiently and accurately than those using the MCM, demonstrating that CSA is a promising search method for molecular docking problems.

• 통합자연과학논문집
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• 제8권2호
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• pp.89-98
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• 2015

Chemoattractant receptor homologous molecule expressed on Th2 cells (CRTh2) is a G-protein coupled receptor targeted for inflammatory diseases such as asthma, allergic rhinitis and atopic dermatitis. In this study, pharmacophore modeling and comparative molecular field analysis (CoMFA) were performed on the series of 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Five highly active compounds were used for generation of pharmacophore models using GASP module. The best pharmacophore model was selected and used as template for the alignment of compounds which was used for CoMFA analysis. The best predictions obtained for CoMFA was $q^2=0.545$, $r^2=0.756$. The predictive ability of the model was investigated using 15 test set compounds. Contour maps suggested that presence of bulky substituents at $5^{th}$ position of benzene ring connected to suphur atoms attached to imidazol ring will increase the activity of the compounds. The results obtained from this study will be useful to design more potent CRTh2 antagonists.

• BMB Reports
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• 제42권5호
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• pp.260-264
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• 2009

Tumor necrosis factor-$\alpha$ (TNF-$\alpha$) exhibits cytotoxicity towards various tumor cells in vitro and induces apoptotic necrosis in transplanted tumors in vivo. It also shows severe toxicity when used systemically for the treatment of cancer patients, hampering the development of TNF-$\alpha$ as a potential anticancer drug. In order to understand the structure-function relation of TNF-$\alpha$ with respect to receptor binding, we selected four regions on the bottom of the TNF-$\alpha$ trimer that are in close contact with the receptor and carried out mutagenesis studies and computational modeling. From the study, various TNF-$\alpha$ muteins with a high therapeutic index were identified. These results will provide a structural basis for the design of highly potent TNF-$\alpha$ for therapeutic purposes. By conjugating TNF-$\alpha$ muteins with a high therapeutic index to a fusion partner, which targets a marker of angiogenesis, it could be possible to develop TNF-$\alpha$ based anticancer drugs.