Rational selection of structurally diverse natural product scaffolds with favorable ADME properties for drug discovery

Molecular Diversity

Volumn 9, Issue 1-3, 2005, Pages 131-139

  Samiulla, D S ^a   Vaidyanathan, V V ^a   Arun, P C ^a   Balan, G ^a   Blaze, M ^a   Bondre, S ^a   Chandrasekhar, G ^a   Gadakh, A ^a   Kumar, R ^a   Kharvi, G ^a   Kim, H O ^b   Kumar, S ^a   Malikayil, J A ^a   Moger, M ^a   Mone, M K ^a   Nagarjuna, P ^a   Ogbu, C ^b   Pendhalkar, D ^a   Raja Rao, A V S ^a   Venkateshwar Rao, G ^a   Sarma, V K ^a   Shaik, S ^a   Sharma, G V R ^a   Singh, S ^a   Sreedhar, C ^a   Sonawane, R ^a   Timmanna, U ^a   Hardy, L W ^b   more..

^a Aurigene Discovery Technologies Limited   (India)

^b Aurigene Discovery Technologies   (United States)

Author keywords

Computational design; Early ADME; Lead like; Metabolic stability; Natural products; Permeability; Scaffold

Indexed keywords

ATENOLOL; CAFFEINE; CHLOROTHIAZIDE; CORTISONE ACETATE; CRYPTOHEPTINE; DIETHYLSTILBESTROL; ESTRIOL; ESTRONE; FUROSEMIDE; GUGGULSTERONE; KETOCONAZOLE; LABETALOL; METOLAZONE; METOPROLOL TARTRATE; NATURAL PRODUCT; NORETHISTERONE; PINDOLOL; PROGESTERONE; PROPRANOLOL; QUINIDINE; RANITIDINE; RIFAMPICIN; SALAZOSULFAPYRIDINE; SALICYLIC ACID; SULFAPHENAZOLE; TAMOXIFEN; TERFENADINE; UNCLASSIFIED DRUG; VASICINONE;

ANALYTIC METHOD; ARTICLE; BIOLOGY; CONTROLLED STUDY; DRUG ABSORPTION; DRUG DESIGN; DRUG DISTRIBUTION; DRUG EFFICACY; DRUG EXCRETION; DRUG METABOLISM; DRUG STRUCTURE; EXPERIMENT; GEOLOGICAL TIME; HUMAN; HUMAN TISSUE; IN VITRO STUDY; MOLECULE; NATURAL SELECTION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; STRUCTURE ANALYSIS; TECHNIQUE;

ALKALOIDS; BIOLOGICAL FACTORS; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; INDICATORS AND REAGENTS; MICROSOMES, LIVER; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PLANT EXTRACTS; SOLUBILITY;

EID: 20144385483     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-005-1297-7     Document Type: Article

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