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Cho, Won-Jea,Le, Quynh Manh,Van, Hue Thi My,Lee, Kwang Youl,Kang, Bok Yun,Lee, Eung-Seok,Lee, Sang Kook,Kwon, Youngjoo WILEY-VCH Verlag 2007 Chem Inform Vol.38 No.43
<P>ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.</P>
Development of 3-aryl-1isoquinolinamines as potent antitumor agents based on CoMFA
( Su Hui Yang ),( Hue Thi My Van ),( Thanh Nguyen Le ),( Daulat Bikram Khadka ),( Suk Hee Cho ),( Kyung Tae Lee ),( Eung Seok Lee ),( Young Bok Lee ),( Chang Ho Ahn ),( Won Jea Cho ) 영남대학교 약품개발연구소 2011 영남대학교 약품개발연구소 연구업적집 Vol.21 No.-
Cho, Won-Jea,Kim, Eui-Ki,Park, Il Yeong,Jeong, Eun Young,Kim, Tae Sung,Le, Thanh Nguyen,Kim, Dae-Duk,Lee, Eung-Seok 영남대학교 약품개발연구소 2002 영남대학교 약품개발연구소 연구업적집 Vol.11 No.-
A series of 58 3-arylisoquinoline antitumor agents were investigated for defining the phamacophroe model using comparative molecular field analysis (CoMFA) program. The studied compounds relatod to biosostere of benzophenanthridine alkaloid were synthesized and evaluated for antitumor cytotoxicity against human lung tumor cell (A 549). In order to perform the systematic molecular modeling study of these compounds, the conformational search was carried out based on the single X-ray crystallographic structure of 7,8-dimethoxy-3-phenylisoquinolin-(2H)-one(2). Interestingly, two types of structures having different dihedral angles between the isoquinoline ring and 3-aryl ring were found in the crystals. Therefore, CoMFA was performed two different, overlapping ways. The alignments of the structures were based on the common isoquinoline ring and 3-aryl ring. The 3-D-quantitative structure-activity relationship study resulted in significant cross-validated, conventional r^2 values equal to 0.715 and 0.927, respectively.