The discovery of novel histone lysine methyltransferase G9a inhibitors (part 1): Molecular design based on a series of substituted 2,4-diamino-7- aminoalkoxyquinazoline by molecular-docking-guided 3D quantitative structure-activity relationship studies

Medicinal Chemistry

Volumn 10, Issue 4, 2014, Pages 426-440

  Feng, Taotao ^a   Wang, Hai ^a   Zhang, Xiaojin ^a   Sun, Haopeng ^a   You, Qidong ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

2,4 diamino 7 aminoalkoxy quinazoline; 3D QSAR; CoMSIA; G9a inhibitors; Molecular modeling; Novel compounds

Indexed keywords

2 CYCLOHEXYL N (1 ISOPROPYL 4 PIPERIDINYL) 6 METHOXY 7 [3 (1 PYRROLIDINYL)PROPOXY] 4 QUINAZOLINAMINE; 2,4 DIAMINO 7 AMINOALKOXYQUINAZOLINE; 7 [3 (DIMETHYLAMINO)PROPOXY] 2 (HEXAHYDRO 4 METHYL 1H 1,4 DIAZEPIN 1 YL) 6 METHOXY N (1 METHYL 4 PIPERIDINYL) 4 QUINAZOLINAMINE; HISTONE LYSINE METHYLTRANSFERASE INHIBITOR; QUINAZOLINE DERIVATIVE; UNCLASSIFIED DRUG; ENZYME INHIBITOR; HISTONE LYSINE METHYLTRANSFERASE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG DESIGN; FOLLOW UP; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; STATIC ELECTRICITY; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; DRUG DEVELOPMENT; HUMAN; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SYNTHESIS;

DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; ENZYME INHIBITORS; HISTONE-LYSINE N-METHYLTRANSFERASE; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINAZOLINES;

EID: 84899819989     PISSN: 15734064     EISSN: 18756638     Source Type: Journal    
DOI: 10.2174/15734064113096660068     Document Type: Article

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