A 3D QSAR study of betulinic acid derivatives as anti-tumor agents using topomer CoMFA: Model building studies and experimental verification

Molecules

Volumn 18, Issue 9, 2013, Pages 10228-10241

  Ding, Weimin ^a,b   Sun, Miao ^b   Luo, Shaman ^a   Xu, Tao ^a   Cao, Yibo ^a   Yan, Xiufeng ^a   Wang, Yang ^a  

^a NORTHEAST FORESTRY UNIVERSITY   (China)

^b HARBIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

3D QSAR; Betulin; Betulinic acid; Experimental verification; Topomer CoMFA

Indexed keywords

ANTINEOPLASTIC AGENT; BETULIC ACID; TRITERPENE;

ARTICLE; CELL SURVIVAL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG EFFECT; DRUG SCREENING; HUMAN; IC 50; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TUMOR CELL LINE; DRUG EFFECTS; IC50;

ANTINEOPLASTIC AGENTS; CELL LINE, TUMOR; CELL SURVIVAL; COMPUTER SIMULATION; DRUG SCREENING ASSAYS, ANTITUMOR; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; TRITERPENES;

EID: 84885166959     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules180910228     Document Type: Article

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