Combined QSAR studies of inhibitor properties of O-phosphorylated oximes toward serine esterases involved in neurotoxicity, drug metabolism and Alzheimer's disease

SAR and QSAR in Environmental Research

Volumn 23, Issue 7-8, 2012, Pages 627-647

  Makhaeva, G F ^a   Radchenko, E V ^a,b   Baskin, I I ^a,b   Palyulin, V A ^a,b   Richardson, R J ^c   Zefirov, N S ^a,b  

^a INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS   (Russian Federation)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

^c UNIVERSITY OF MICHIGAN   (United States)

Author keywords

anti Alzheimer drugs; comparative molecular similarity index analysis (CoMSIA); molecular field topology analysis (MFTA); phosphorylated oxime (POX); quantitative structure activity relationships (QSAR); serine esterases

Indexed keywords

AMINO ACIDS; COMPUTATIONAL CHEMISTRY; ENZYMES; ESTERS; NEURAL NETWORKS; NEURODEGENERATIVE DISEASES; PHOSPHORUS COMPOUNDS; PHOSPHORYLATION; PHYSIOLOGY; TOPOLOGY;

ALZHEIMER; ANTI-ALZHEIMER DRUG; COMPARATIVE MOLECULAR SIMILARITY INDEX ANALYSE; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; MOLECULAR FIELD TOPOLOGY ANALYSE; MOLECULAR FIELDS; PHOSPHORYLATED OXIME; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SERINE ESTERASE; TOPOLOGY ANALYSIS;

METABOLISM;

EID: 84869424768     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2012.679690     Document Type: Article

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