Pentachlorophenol molecule design with lower bioconcentration through 3D-QSAR associated with molecule docking

Modification of polychlorinated phenols and evaluation of their toxicity, biodegradation and bioconcentration using three-dimensional quantitative structure–activity relationship models

(2017) Lidan Tong et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

3D-QSAR and molecular docking studies on HIV protease inhibitors

(2017) Jianbo Tong et al.   JOURNAL OF MOLECULAR STRUCTURE

Compound profiling and 3D-QSAR studies of hydrazone derivatives with activity against intracellular Trypanosoma cruzi

(2016) Lívia Bandeira Costa et al.   BIOORGANIC & MEDICINAL CHEMISTRY

3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase

(2016) Wenlian Li et al.   JOURNAL OF MOLECULAR STRUCTURE

Comparison of Bioconcentration and Biomagnification Factors for Poorly Water-Soluble Chemicals Using Common Carp (Cyprinus carpio L.)

(2012) Yoshiyuki Inoue et al.   ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY

Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors β

(2012) Xiaolin Li et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase

(2010) Peng Lu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structural Discovery of Small Molecule Binding Sites in Cu−Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization

(2010) Svetlana Antonyuk et al.   JOURNAL OF MEDICINAL CHEMISTRY

3D-QSAR (CoMFA and CoMSIA) and pharmacophore (GALAHAD) studies on the differential inhibition of aldose reductase by flavonoid compounds

(2010) Julio Caballero   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Identification of differential hepatic proteins in rare minnow (Gobiocypris rarus) exposed to pentachlorophenol (PCP) by proteomic analysis

(2010) Yanjun Fang et al.   TOXICOLOGY LETTERS

Novel multiwalled carbon nanotubes–polyaniline composite film coated platinum wire for headspace solid-phase microextraction and gas chromatographic determination of phenolic compounds

(2009) Wei Du et al.   JOURNAL OF CHROMATOGRAPHY A

Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex

(2008) Patrick A. Holt et al.   Journal of Chemical Information and Modeling

Structure-based virtual screening for glycosyltransferase51

(2008) Min Yang et al.   MOLECULAR SIMULATION