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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 저널정보
- 대한약학회 Archives of pharmacal research : a publication of the Pharmaceutical Society of Korea Archives of pharmacal research : a publication of the Pharmaceutical Society of Korea 제31권 제12호
- 발행연도
- 2008.1
- 수록면
- 1,540 - 1,546 (7page)
이용수
이 논문의 연구 히스토리 (3)
2003
Comparative Molecular Similarity Indices Analysis (CoMSIA) on the Melanogenesis Inhibitory Activities of Alkyl-3,4-dihydroxy- benzoate and N-alkyl-3,4-dihydroxybenzamide Derivatives.
Kim
,
Sang-Jin
,
Sung
외 3명
대한화장품학회 학술대회
2003.01
학술대회자료
Comparative Molecular Field Analyses (CoMFA) on the Mela-nogenesis Inhibitory Activities of Alkyl-3,4-dihydroxybenzoyl Derivatives.
Kim
,
Sang-Jin
,
Sung
외 3명
대한화장품학회 학술대회
2003.01
학술대회자료
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초록· 키워드
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To predict a new materials of superior melanogenesis inhibitory activities (MIA), the comparative molecular field analysis (CoMFA) models on MIA of alkyl-3,4-dihydroxybenzoates and N-alkyl-3,4-dihydroxybenzamides analogues against mouse melanoma cell were derived and discussed quantitatively. The optimized CoMFA model II from the field fit alignment demonstrated better predictability of molecular structure with the non-cross validated conventional coefficient ($r^2{_{ncv.}}$=0.984) and cross-validated coefficient ($r^2{_{cv.}}$ or q=0.706) than that from atom based fit alignment. Also, the relative contribution of the optimized CoMFA model II showed the steric (63.8%), electrostatic (18.4%), and hydrophobic (ClogP) field (17.8%), respectively. The results indicated that the esters (alkyl-3,4-dihydroxybenzoates) are more active inhibitors than the amides (N-alkyl-3,4-dihydroxybenzamides). Furthermore, the optimized CoMFA model II is proven to be a useful approach to design a highly active melanogenesis inhibitor molecules, and enables to predict $R_1$=n-dodecy and $R_2$=n-heptyloxy substituted compound of alkyl-3,4-dihydroxybenzoates as the most active compounds (Pred. $pI_{50}$=5.87).
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Alkyl-3,4-dihydroxybenzoate와 N-Alkyl-3,4-dihydroxybenzamide 유도체들의 가수분해 반응성과 멜라닌 생성 저해활성에 관한 홀로그램(H) QSAR 분석
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Alkyl-3,4-dihydroxybenzoate와 N-Alkyl-3,4-dihydroxybenzamide 유도체의 피부 감작성에 관한 홀로그래피적인 정량적 구조와 독성과의 관계(HQSTR)
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Comparative Molecular Field Analyses (CoMFA) on the Mela-nogenesis Inhibitory Activities of Alkyl-3,4-dihydroxybenzoyl Derivatives.
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Comparative Molecular Field Analysis of Dioxins and Dioxin-like Compounds
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$3{\beta}$-Hydroxy-12-oleanen-28-oic Acid 유도체들의 PTP-1B 저해활성에 대한 CoMFA 분석과 활성 분자들의 예측
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Comparative Molecular Field Analysis (CoMFA) Study of Antitumor 3-Arylisoquinolines
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CoMFA Based Quantitative Structure Toxicity Relationship of Azo Dyes
Molecular & cellular toxicology
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CoMFA and CoMSIA 3D QSAR Studies on Pimarane Cyclooxygenase-2 (COX-2) Inhibitors
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The 3D-QSAR Studies on the Indolinones Derivatives of PTKIs: CoMFA& CoMSIA
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3D-QSAR and docking studies of selective COX-2 inhibitors
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CoMFA법을 이용한 3-아릴이소퀴놀린 화합물들의 SK-OV-3 암세포에 대한 가상의 약물 작용 수용체 해석
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2002 .01
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Topomer-CoMFA Study of Tricyclic Azepine Derivatives-EGFR Inhibitors
Molecular & cellular toxicology
2008 .01
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Comparative Molecular Similarity Indices Analysis (CoMSIA) on the Melanogenesis Inhibitory Activities of Alkyl-3,4-dihydroxy- benzoate and N-alkyl-3,4-dihydroxybenzamide Derivatives.
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CoMFA of 1-phenyl-2-substituted thioureas for their cytotoxicity
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2002 .01
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Prediction on the Chiral Behaviors of Drugs with Amine Moiety on the Chiral Cellobiohydrolase Stationary Phase Using a Partial Least Square Method
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Molecular modeling of COX-2 inhibitors: 3D-QSAR and docking studies
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The 3-D QSAR study of antitumor arylsulfonylimidazolidinone derivatives by CoMFA and COMSIA
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CoMFA analysis of 2-phenyl-1,8-naphthyridin-4-ones for cytotoxicity
대한약학회 학술대회
2001 .01
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CoMFA Analysis of 2-Alkylureido-1-phenyl propanols for N-SMase inhibitory activity
대한약학회 학술대회
2002 .01
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