Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: Application of QSAR methods based on the MOLMAP approach

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 3, 2012, Pages 349-361

  Sabet, Razieh ^a,b   Fassihi, Afshin ^a   Hemmateenejad, Bahram ^c   Saghaei, Lotfollah ^a   Miri, Ramin ^c   Gholami, Maryam ^c  

^a ISFAHAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^b SHIRAZ UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^c SHIRAZ UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

Antibacterial activity; CP ANN 3 Hydroxypyridin 4 one; MOLMAP; QSAR

Indexed keywords

BACTERIA; COMPUTATIONAL CHEMISTRY; COMPUTER AIDED DESIGN; GENETIC ALGORITHMS; LEAST SQUARES APPROXIMATIONS; MOLECULAR GRAPHICS; MOLECULES; SCAFFOLDS; SYNTHESIS (CHEMICAL);

ANTI-BACTERIAL ACTIVITY; ANTIBACTERIALS; COMPUTER-AIDED DESIGN; COUNTER PROPAGATION; COUNTER PROPAGATION ARTIFICIAL NEURAL NETWORK 3-HYDROXYPYRIDIN-4-ONE; GENETIC ALGORITHM-PARTIAL LEAST SQUARES; HYDROXYPYRIDINE; MOLMAP; QSAR; SYNTHESIZED MOLECULES;

NEURAL NETWORKS;

3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID ETHYLIDENE HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID PHENYLMETHYLENE HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(2 CHLOROPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(2 HYDROXYPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(2 METHOXYPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(3 BROMOPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(3 NITRO PHENYLMETHYLEN)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 BROMOPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 CHLOROPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 DIMETHYLAMINOPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 METHOXYPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 METHYLPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(4 NITROPHENYLMETHYLENE)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID(PHENYLVINYL)HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID[(1 METHYL 5 NITRO 1H IMIDAZOL 2 YL)METHYLENE]HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID[(5 NITROFURAN 2 YL)METHYLENE]HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID[(FURAN 2 YL)METHYLENE]HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID[(THIOPHENE 2 YL)METHYLENE]HYDRAZIDE; 3 (3 HYDROXY 2 METHYL 4 OXOPYRIDIN 1 [4H]YL)BENZOIC ACID[[1 METHYL 2 (METHYLTHIO) 1H IMIDAZOLYL 5 YL]METHYLENE]HYDRAZIDE; 3 HYDROXYPYRIDINE 4 ONE DERIVATIVE; ANTIINFECTIVE AGENT; NEW DRUG; UNCLASSIFIED DRUG;

ACCURACY; ANTIBACTERIAL ACTIVITY; ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER AIDED DESIGN; DRUG DESIGN; DRUG SYNTHESIS; GENETIC ALGORITHM; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR MAP OF ATOM LEVEL PROPERTIES; MOLECULAR MODEL; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; PHYSICAL CHEMISTRY; PREDICTIVE VALUE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STAPHYLOCOCCUS AUREUS;

EID: 84863105870     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9561-2     Document Type: Article

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