Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives

Synthesis and evaluation of arylpiperazines derivatives of 3,5-dioxo-(2 H ,4 H )-1,2,4-triazine as 5-HT 1A R ligands

(2014) J.S. Dileep Kumar et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Structure–activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT7 and 5-HT1A receptor ligands

(2014) Loredana Salerno et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT7 and 5-HT1A receptor ligands

(2014) Vittorio Canale et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

SVM Classification and CoMSIA Modeling of UGT1A6 Interacting Molecules

(2014) Leo Ghemtio et al.   Journal of Chemical Information and Modeling

ASSESSMENT OF LIPOPHILICITY OF SOME BIOLOGICALLY ACTIVE ARYLPIPERAZINES BY RPTLC AND MULTIVARIATE ANALYSIS

(2014) Marija Stanojević et al.   JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES

New 7-arylpiperazinylalkyl-8-morpholin-4-yl-purine-2,6-dione derivatives with anxiolytic activity – Synthesis, crystal structure and structure–activity study

(2014) Grażyna Chłoń-Rzepa et al.   JOURNAL OF MOLECULAR STRUCTURE

7-3-Chlorophenypiperazinylalkyl derivatives of 8-alkoxy-purine-2,6-dione as a serotonin receptor ligands with potential antidepressant activity

(2014) Małgorzata Zygmunt et al.   Pharmacological Reports

New Arylpiperazines with Flexible versus Partly Constrained Linker as Serotonin 5-HT1A/5-HT7Receptor Ligands

(2013) Piotr Kowalski et al.   ARCHIV DER PHARMAZIE

Molecular Modeling of 5HT2AReceptor - Arylpiperazine Ligands Interactions

(2013) Milan Sencanski et al.   Chemical Biology & Drug Design

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

(2012) Johannes Kirchmair et al.   Journal of Chemical Information and Modeling

Prediction of metabolic reactions based on atomic and molecular properties of small-molecule compounds

(2011) Fangping Mu et al.   BIOINFORMATICS

RS-Predictor: A New Tool for Predicting Sites of Cytochrome P450-Mediated Metabolism Applied to CYP 3A4

(2011) Jed Zaretzki et al.   Journal of Chemical Information and Modeling