Molecular modeling and cyclodextrins: A relationship strengthened by complexes

Current Organic Chemistry

Volumn 10, Issue 7, 2006, Pages 715-729

  Castro, E A ^a   Barbiric, D A J ^b  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

^b UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

HPBCD cavity; Molecular Mechanics; Nimesulide; Trisulfonated triphenylphosphine (TPPTS); van der Waals interaction

Indexed keywords

PHYSICAL CHEMISTRY; VAN DER WAALS FORCES;

'CURRENT; HPBCD CAVITY; INCLUSION COMPLEX; NIMESULIDE; PHYSICAL CHEMISTRY PROPERTIES; THEORETICAL METHODS; TRIPHENYL PHOSPHINES; TRISULPHONATED TRIPHENYLPHOSPHINE (TPPTS); VAN DER WAALS INTERACTIONS;

CYCLODEXTRINS;

2 (2' HYDROXYL 5' METHYLBENZOYL) 1,5 DIPHENYLPYRROLE; 4 DIMETHYLAMINOAZOBENZENE; 4 NITROBENZOIC ACID; ALKANE DERIVATIVE; ALKYL GROUP; ALPHA CYCLODEXTRIN; AROMATIC COMPOUND; AZOBENZENE DERIVATIVE; BENZENE DERIVATIVE; BETA CYCLODEXTRIN; BUPIVACAINE; CYCLODEXTRIN; CYCLODEXTRIN DERIVATIVE; DRUG METABOLITE; ESTROGEN; FLURBIPROFEN; FLURBIPROFENATE; GAMMA CYCLODEXTRIN; HYDROXYL GROUP; IBUPROFEN; IBUPROFENATE; LIDOCAINE; NIMESULIDE; POLYANILINE; PROPRANOLOL; PYRROLE DERIVATIVE; ROTAXANE; TOLMETIN; TRIPHENYLPHOSPHINE; UNCLASSIFIED DRUG;

CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER PROGRAM; COMPUTER SIMULATION; COVALENT BOND; DRUG DELIVERY SYSTEM; DRUG MECHANISM; DRUG STABILITY; ENCAPSULATION; GENETIC ALGORITHM; HYDROGEN BOND; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PHYSICAL CHEMISTRY; POTENTIOMETRY; QUANTUM CHEMISTRY; REVIEW; STOICHIOMETRY; THEORETICAL STUDY; THERMODYNAMICS;

EID: 84962361106     PISSN: 13852728     EISSN: None     Source Type: Journal    
DOI: 10.2174/138527206776818928     Document Type: Review

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