Benzo(a)pyrene의 산화에 대한 분자 궤도함수론적 해석

도성탁 대구보건대학 1996 대구보건대학 論文集 Vol.16 No.-

Molecular orbital calculation was carried out to analyze the reactivity of benzo(a)pyrene. Choozing the HOMO electron density to investigate the one electron oxidation reactivity, the values of 1, 3, 6 carbon atom are greater than the other atoms. This is coincident with one electron oxidation expriment. Choosing the density matrix which represents bond oxidation reactivty, the values of 4C-5C and 7C-8C bond are greater than other regions. This is also agreement with the expriment of the addition of oxygen atom to bezo(a)pyrene. Bond reactivity at 4, 5-positon is greater than at 7, 8-positon but 7, 8-epoxide benzo(a)pyrene is well known as proximate carcinogen. In 7, 8-epoxide B(a)P, the reactity of 9, 10-position is increased. Accordingly, oxyganation is the porocess to polarize benzo(a)pyrene. Most polarized and electron deficient benzo(a)pyrene-7, 8-dihydrodiol-9, 10-epoxide is potent carcinogen.

Benzo(a)pyrene과 Cytochrome P-450의 상호작용에 대한 이론적 연구

도성탁(Seong-Tak Doh) 대한의생명과학회 1995 Biomedical Science Letters Vol.1 No.1

요약 B(a)P와 cytochrome P-450의 heme부분은 구조가 평면이므로 겹침상호작용이 가능하다. 가능성이 큰 겹침상호작용모형을 결정하기 위해 이들 분자에 대해 MO계산을 행하였다. 이 경우 궤도함수 상호작용이 가장 중요하므로, 프론티어궤도함수의 eigen vetor값이 크며 상호 결합성을 보여야 한다. 이를 바탕으로 다섯가지 가능성이 있는 모형을 선택한 후 MN2와 MO방법을 실행하였다. 이중 B(a)P의 4, 5, 6번 위치와 heme group의 ?탄소와 Ⅲ pyrrole환이 포개어지는 형태가 가장 안정하였다. Considering the planar structure and nonpolar properity of benzo(a)pyrene(B(a)p) and the planar heme part of cytochrome P-450, stacking interaction is probable. MO calculation on B(a)P and heme part of cytochrome P-450 were carried out to dertermine probable stacking interaction models. In this case, orbital interaction is most important. Accordingly, the stacking positions have high eigen vector in frontier orbital and boning type between two molecules. In this way, five probale models were selected and examined by MN2 and MO method. The most probable stacking interaction model which is the 4, 5, 6 positions of B(a)P overlap ?carbon atom and Ⅲ pyrrole ring of heme group was determined.

임상병리과 임상실습에 대한 병원실습지도자 및 학생의 의식조사

도성탁 ( Seong-tak Doh ),권순일 ( Sun-il Kwon ),안승주 ( Seung-ju Ahn ) 한국고등직업교육학회 2008 한국고등직업교육학회논문집 Vol.9 No.4

임상병리과의 임상실습에 대한 의식조사로서 병원관계자 36명 및 대구보건대학 임상병리과 3학년 재학생 중 임상실습을 마친 148명을 대상으로 하여 2007년 5월부터 2007년 6월까지 설문지를 배부하여 조사한 결과는 다음과 같다. 임상실습기간에 대해 병원관계자의 경우 80.6%, 학생은 65.8%가 적절하다고 응답하였으나, 늘려야 한다는 의견도 각각 19.4%, 21.2%가 되었다. 실습 내용면에서 학생들의 34.5%가 실제업무위주로 이루어졌다고 한 반면, 60.8%가 단순한 보조업무였다고 답하였다. 병원 측의 30.6%가 체계적인 실습프로그램이 없다고 응답하였다. 실습지도자의 성의에 만족하는가하는 질문에 보통이상이라고 답한 학생 90.5%, 불만족이라는 학생 9.5%이었는데, 이는 성심성의껏 지도하였다는 병원 측의 94.1%와 그렇지 않다 5.9%와 대체적으로 일치하였다. 임상실습 후 실습에 대한 만족도 조사에서 91.7%가 보통이상이라고 답하였고, 실습 후 자신감을 얻었다고 75.7%가 응답하였다. 위에서 보는바와 같이 학생들은 임상실습을 통해 자신감을 쌓아가는 긍정적인 반응을 보였다. 그러나 체계적인 계획에 의거한 교육가 평가가 병원마다 차이를 보이고 있어 구체적인 실습지침의 필요하다 하겠다. Hospital practice program (HPP, Im-Sang-Sil-Seup) is an important part of current curriculum of various health- related academic majors of Korean health science colleges. This survey aims to study the satisfaction level of students who have completed HPP. The respondents to the questionnaire consist of 148 senior students who did HPP and 36 hospital staffs who actually led HPP for the students. As for the length of HPP, the 65.8% of students and 80.6% of hospital staffs said current 8 week period was appropriate to achieve the educational goal of HPP. In contrast, 21.2% of students and 19.4% of hospital staffs thought longer period was needed to learn various important topics during HPP. While 34.5% of students said their HPP in hospital was focused on valuable practical works, as much as 60.8% of students thought their role was merely simple temporary assisting work forces in hospitals. The 30.6% of respondent hospital staffs admitted that they did not have any well organized training program for HPP. With regard to satisfaction level to the sincerity of trainer of HPP in the hospitals, 90.5% of students were positioned in the middle or satisfied scale, and 9.5% of students were in dissatisfied scale. These figures are in good accordance with the answer of hospital staffs that they taught the students in all sincerity by 61.8%, and in the middle by 32.4%. The 91.7% of students were in the middle or satisfied scale in terms of the satisfaction level on whole HPP implementation. The 76.8% of students said they gained self-confidence after completing HPP. The overall assessment on HPP by students was rather positive. HPP provided with a good chance for students to learn practical clinical works and to build self-confidence for their vocational tasks. However, depending on hospital condition, training program and evaluation system was quite variable. A detailed and standardized training guide for HPP is recommended to be prepared to assure a guaranteed quality education.

삼국유사(三國遺事)에 나타나는 초본식물(草本植物) 관련 내용에 대한 조사

도성탁 ( Seong-tak Doh ),제갈민 ( Min Jegal ) 한국고등직업교육학회 2012 한국고등직업교육학회논문집 Vol.13 No.1·2

This study aims to read ancestor's thought in the story of herbaceous plant in The heritage of the three states(三 國遺事). Chines-Korean translation of the heritage of the three states quoted from the web-site of National Institute of Korean History. 22 kinds of herbaceous plant appeared in the story. But, it is difficult to speculate or identify the exact name of herbaceous plant. The story can be divide into 6 groups according to content of the story. The first group is the story of plants that are used as food such as rice, proso, bean, mugwort and garlic. The second is the story of plants that are donated for the Buddhist altar. These plants are rice, proso and sesame oil. The third is the story of plants that are used as clothing, shoes and sitting mat. The Korean ancient weaved hemp cloths, dyed clothes with indigo, madder and gromwell, made shoes and mat of cattail. The forth is the story of healing of disease. They used white and black beans to treat disease. The fifth are the story about the incarnation of Buddha and Bodhisattva who change into lotus. The sixth are story about queen's marvelous capability. Sunduk queen predict that peony blossom have no scent.

Benzo[a]pyrene 대사체의 발암활성 영역 및 DNA 염기와의 분자착물의 배향

김종문,손관수,도성탁,김석규,박병각,Kim, Jong Moon,Son, Gwan Su,Doh, Seong Tak,Kim, Seog Kyu,Park, Byung Kak 대한화학회 1996 대한화학회지 Vol.40 No.4

Benzo[a]pyrene(BP)과 그들의 대사체들의 발암성을 PM3의 방법으로 조사하였다. BP분자내의 transbutadiene(TB)frame을 형성하는 4, 5, 5a, 그리고 6번 위치가 발암활성영역임을 LUMO 전자밀도로 예측하고 Ultimate carcinogen인 BP-triol의 발암활성영역이 10, 10a, 12c, 그리고12b 위치로 변화함을 알았다. TB 영역에 해당하는 Guanine의 HOMO와 BP-triol의 LUMO 사이의 전하이동량이 가장 큼을 알았다. Carcinogenicities of Benzo[a]pyrene(BP) and its metabolites were investigated by PM3. The 4, 5, 5a, and 6 positions forming transbutadiene(TB) frame in BP have been proved to be carcinogenic region by LUMO. We have found that the carcinogenic region of BP-triol, ultimate cacinogen, is shifted from 4, 5, 5a, and 6 positions of precarcinogen to 10, 10a, 12c, and 12b ones. The appreximate charge transfer quantities turned out to have the largest value between HOMO of Guanine and LUMO of BP-triol corresponding to TB region on each other.

특별기고 : 비의사 전문 유전상담사의 교육 및 자격의 인증을 위한 소고

김현주 ( Hyon J. Kim ),도성탁 ( Seong Tak Doh ) 대한임상검사과학회 2009 대한임상검사과학회지(KJCLS) Vol.41 No.3

This short review was aimed to provide the information for the people who are interested in genetic counselor education and certification system in Korea. A large part of this study is indebted to HJ Kim``s articles on the genetic counselor system, the global standards of genetic counseling curriculums, training program accreditation (TPA), and a certification process for genetic counselors (CPGC) in the US and Japan. The US and Japanese educational systems showed a high degree of similarities in curriculum, accreditation, and certification programs. Based upon this review, we hereby propose that the Korean Society for Medical Genetics should take a key role in providing the TPA and CPGC for non-MD genetic counselors. Requirement for the entrance to a Master``s degree genetic counseling program should be open to successful four year undergraduate students for all areas, provided the candidates demonstrate the abilities to master the graduate level study in human genetics, statistics, psychology, and other required subjects. Besides accredited program graduates, eligibility for certification should also include the qualified candidates of genetic counseling with no formally approved education, but with a sufficient amount of clinical experience.

Omega-피리딜 알켄산의 형태와 활성간의 상관관계

이종달(Jong Dal Rhee),도성탁(Seong Tak Doh) 대한약학회 1997 약학회지 Vol.41 No.3

Molecular mechanics and conformation search methods were carried oyt to investigate the relationship between conformations and thromboxane synthetase ingibitory activities of omega-pyridylalkenoic acids. The initial geometries of omega-pyridylalkenoic acids and heme part of cytochrome P-450 were obtained from MM+ geometry optimization. The bond lenths and angles were not varied by step during the conformation searching. Stable conformers of some omega-pyridylalkenoic acids were obtained by comformational search method. The distances were 8.5~10.8 Angstrom between N atom at 3-position of pyridine ring and C atom at carboxylic group of stable omega-pyridylalkenoic acids. The conformations of omega-pyridylalkenoic acids and heme part complex were determined by same method. In theses structures, benzene ring and ethylene group in omega-pyridylalkenoic acids are making the structure more rigid and increase inhbitory activity. The electron donating groups in C atom shich is connected to pyridine ring also increase activity.

Cyclooxygenase-1과 Cyclooxygenase-2에 대한 4,5-Diarylpyrroles의 Docking Mode

이종달(Jong Dal Rhee),도성탁(Seong Tak Doh),구본기(Bon Ki Koo) 대한약학회 1999 약학회지 Vol.43 No.6

Dockings of 4,5-diarylpyrrroles into cyclooxygenase-1 and cyclooxygenase-2 were carried out by GOLD program. The sulfonyl groups bonded to 5-phenyl ring of 4,5-diarylpyrrroles are directed to Arg513 of COX-2 and Tyr385 of COX-1. COX-2 docking modes of pyrroles are different from COX-1. Tyr385 and Argl2O of COX-1 and COX-2 have been recognized as important residues. Val523 of COX-2 may be also important. A new COX-2 selective inhibitors could be designed from the docking study.

트롬복산 A2와 트롬복산 A2 수용체 길항제의 활성형태

이종달(Jong Dal Rhee),도성탁(Seong Tak Doh) 대한약학회 1997 약학회지 Vol.41 No.6

Conformational analyses on thromboxane A2 (TxA2) and thromboxane A2 receptor antagonists (TxRA) were carried out by molecular mechanics method. Based on the assumption that active conformer is the nonintrahydrogen bonding and more stable former of TxA2 and TxRA, the molecular structural requirements for potent TxA2 receptor antagonists are like below: 1) The distance is 5.0-5.6 A.U. between C atom of carboxyl group and S atom of sulfonyl group or C atom which is bonded to hydroxyl group in the active conformers. 2) The putative active conformers of TxA2 and TxRAs are hairpin-like forms.

4,5-Diarylpyrroles의 구조와 활성의 상관관계

도성탁 대구보건대학 2001 대구보건대학 論文集 Vol.21 No.-

The antiinflammatory activity of a series of 2-substituted- and 2,3-disubstituted -4-(4-flurorophenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrroles was shown by structure-activity relationship studies to be correlated with the molar refractivity of the 1-substituent and size effect and electronic effect of the 2-substituent. Other molecular descriptors such as ovality, molecular weight and charge contributed to antiinflammatory activity. Much of the anti-inflammatory activity of these pyrroles could be correlated with the inhibition of the isoform of cyclooxygenase(COX2). Additional structure-activity relationship studies have been used to identify the molecular parameters necessary for maximizing COX2 inhibition while simultaneously minimizing the inhibition of constitutively expressed cyclooxygenase-1. Such an effort should facilitate the discovery and development of selective COX inhibitors that should lead to safer nonsteroidal antiinflammatory drugs.