Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity

Journal of Molecular Modeling

Volumn 18, Issue 7, 2012, Pages 3389-3413

  Kalani, Komal ^a   Yadav, Dharmendra Kumar ^a   Khan, Feroz ^a   Srivastava, Santosh K ^a   Suri, Nitasha ^b  

^a CSIR CENTRAL INSTITUTE OF MEDICINAL AND AROMATIC PLANTS   (India)

^b CSIR INDIAN INSTITUTE OF INTEGRATIVE MEDICINE   (India)

Author keywords

ADME; In vitro cytotoxic activity; QSAR; Ursolic acid analogs

Indexed keywords

URSOLIC ACID DERIVATIVE;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CANCER CELL CULTURE; CARBON NUCLEAR MAGNETIC RESONANCE; CYTOTOXICITY; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; DRUG SCREENING; HUMAN; HUMAN CELL; IN VITRO STUDY; LUNG CANCER; MULTIPLE LINEAR REGRESSION ANALYSIS; PHARMACOPHORE; PREDICTIVE VALUE; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SYNTHESIS;

ANTINEOPLASTIC AGENTS, PHYTOGENIC; CELL LINE; COMPUTER SIMULATION; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TRITERPENES;

EID: 84864709838     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1327-6     Document Type: Article

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