Computational study on the molecular inclusion of andrographolide by cyclodextrin

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 3, 2009, Pages 153-162

  Zhou, Hongwei ^a   Lai, Wai Ping ^a   Zhang, Zhiqiang ^a   Li, Wai Kee ^b   Cheung, Hon Yeung ^a  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

Andrographolide; Cyclodextrin; Hydrogen bond; Inclusion complex

Indexed keywords

BIOCHEMISTRY; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; HYDROGEN BONDS; ORGANIC SOLVENTS;

ANDROGRAPHOLIDE; ATOMS-IN-MOLECULES ANALYSIS; AUSTIN MODEL 1; AUTODOCK; COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL-THEORY; INCLUSION COMPLEX; MOLECULAR INCLUSIONS; PHYSICAL AND CHEMICAL PROPERTIES; WATER SOLUBILITIES;

CYCLODEXTRINS;

ALPHA CYCLODEXTRIN; ANDROGRAPHOLIDE; BETA CYCLODEXTRIN; CYCLODEXTRIN; GAMMA CYCLODEXTRIN;

ARTICLE; CALCULATION; COMPLEX FORMATION; DRUG DESIGN; DRUG SOLUBILITY; DRUG STRUCTURE; ENCAPSULATION; HYDROGEN BOND; MOLECULAR DOCKING; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; THEORY;

EID: 59649129141     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-008-9247-y     Document Type: Article

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