Structural and spectroscopic analysis, ADMET study, and anxiolytic-like effect in adult zebrafish (Danio rerio) of 4′-[(1E,2E)-1-(2-(2′,4′-dinitrophenyl)hydrazone-3-(4-methoxyphenyl)allyl)aniline

Chalcones reverse the anxiety and convulsive behavior of adult zebrafish

(2021) Maria Kueirislene Amâncio Ferreira et al.   EPILEPSY & BEHAVIOR

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

(2021) Guoli Xiong et al.   NUCLEIC ACIDS RESEARCH

Synthesis, structural and spectroscopic characterization, in silico study, and antinociceptive effect in adult zebrafish of 2-(4-isobutylphenyl) -N'-phenylpropanohydrazide

(2021) Tatiana Rodrigues Garcia et al.   JOURNAL OF MOLECULAR STRUCTURE

Pregnancy Alters CYP and UGT Mediated Metabolism of Buprenorphine

(2020) Hongfei Zhang et al.   THERAPEUTIC DRUG MONITORING

Antinociceptive Effect of the Essential Oil of Schinus terebinthifolius (female) Leaves on Adult Zebrafish (Danio rerio)

(2020) Maria da Conceição L. Lima et al.   Zebrafish

Protein fraction from Artocarpus altilis pulp exhibits antioxidant properties and reverses anxiety behavior in adult zebrafish via the serotoninergic system

(2020) Nidyedja Goyanna Gomes Gonçalves et al.   Journal of Functional Foods

Structural, vibrational and electrochemical analysis and antibiotic activity study of chalcone (2E)-1-(3ʹ,-methoxy-4ʹ,-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one

(2020) T.R. Garcia et al.   JOURNAL OF MOLECULAR STRUCTURE

Antinociceptive effect of triterpene acetyl aleuritolic acid isolated from Croton zehntneri in adult zebrafish (Danio rerio)

(2020) Antonia Jaqueline Nobre Bezerra et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

New half-sandwich (η6-p-cymene)ruthenium(II) complexes with benzothiazole hydrazone Schiff base ligand: Synthesis, structural characterization and catalysis in transamidation of carboxamide with primary amines

(2020) Subbarayan Vijayapritha et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Are We Opening the Door to a New Era of Medicinal Chemistry or Being Collapsed to a Chemical Singularity?

(2019) Yan A. Ivanenkov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Flumazenil-insensitive benzodiazepine binding sites in GABAA receptors contribute to benzodiazepine-induced immobility in zebrafish larvae

(2019) Yanqing Cao et al.   LIFE SCIENCES

FT-Raman and FT-IR spectra and DFT calculations of chalcone (2 E )-1-(4-aminophenyl)-3-phenyl-prop-2-en-1-one

(2018) R.N.S. Santiago et al.   VIBRATIONAL SPECTROSCOPY

Structure of a human synaptic GABAA receptor

(2018) Shaotong Zhu et al.   NATURE

Structural, spectroscopic and microbiological characterization of the chalcone 2E-1-(2ʹ-hydroxy-3ʹ,4ʹ,6ʹ-trimethoxyphenyl)-3-(phenyl)-prop-2-en-1-one derived from the natural product 2-hydroxy-3,4,6-trimethoxyacetophenone

(2018) A.M.R. Teixeira et al.   JOURNAL OF MOLECULAR STRUCTURE

Maerua angolensis stem bark extract reverses anxiety and related behaviours in zebrafish—Involvement of GABAergic and 5-HT systems

(2017) Charles Kwaku Benneh et al.   JOURNAL OF ETHNOPHARMACOLOGY

Adult Zebrafish (Danio rerio): An Alternative Behavioral Model of Formalin-Induced Nociception

(2017) Francisco Ernani Alves Magalhães et al.   Zebrafish

Animals, anxiety, and anxiety disorders: How to measure anxiety in rodents and why

(2017) Jaanus Harro   BEHAVIOURAL BRAIN RESEARCH

Central Nervous System Multiparameter Optimization Desirability: Application in Drug Discovery

(2016) Travis T. Wager et al.   ACS Chemical Neuroscience

Rule of five in 2015 and beyond: Target and ligand structural limitations, ligand chemistry structure and drug discovery project decisions

(2016) Christopher A. Lipinski   ADVANCED DRUG DELIVERY REVIEWS

Mexican medicinal plants with anxiolytic or antidepressant activity: Focus on preclinical research

(2016) Carolina López-Rubalcava et al.   JOURNAL OF ETHNOPHARMACOLOGY

Assessment of DFT Functionals for QTAIM Topological Analysis of Halogen Bonds with Benzene

(2016) Alessandra Forni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

(2015) I.B. Obot et al.   CORROSION SCIENCE

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, crystal structure, spectroscopic analysis and computational study of (Z)-1-(2,4-dinitrophenyl)-2-((E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl) allylidene) hydrazine by DFT and AIM approach

(2015) Ashok Kumar Singh et al.   JOURNAL OF MOLECULAR STRUCTURE

The GABAA Receptor as a Therapeutic Target for Neurodevelopmental Disorders

(2015) Sien Braat et al.   NEURON

Comparison ofin silicotools for evaluating rat oral acute toxicity

(2015) R. Gonella Diaza et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Building Zebrafish Neurobehavioral Phenomics: Effects of Common Environmental Factors on Anxiety and Locomotor Activity

(2015) Adam Michael Stewart et al.   Zebrafish

Antidepressant-related sexual dysfunction — Perspectives from neuroimaging

(2013) Heiko Graf et al.   PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR

Drug Target Prediction and Repositioning Using an Integrated Network-Based Approach

(2013) Dorothea Emig et al.   PLoS One

Benzodiazepine dependence and its treatment with low dose flumazenil

(2012) Sean David Hood et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

Quantitative Prediction of Antitarget Interaction Profiles for Chemical Compounds

(2012) Alexey V. Zakharov et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Drug–target interaction prediction by random walk on the heterogeneous network

(2012) Xing Chen et al.   Molecular BioSystems

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Gaussian interaction profile kernels for predicting drug–target interaction

(2011) Twan van Laarhoven et al.   BIOINFORMATICS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

(2011) Alexey Lagunin et al.   Molecular Informatics

Effects of anxiolytics in zebrafish: Similarities and differences between benzodiazepines, buspirone and ethanol

(2011) Daiane L. Gebauer et al.   PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

(2010) Travis T. Wager et al.   ACS Chemical Neuroscience

Measuring anxiety in zebrafish: A critical review

(2010) Caio Maximino et al.   BEHAVIOURAL BRAIN RESEARCH

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY

Scototaxis as anxiety-like behavior in fish

(2010) Caio Maximino et al.   Nature Protocols

Complementary developmental expression of the two tyrosine hydroxylase transcripts in zebrafish

(2009) Yu-Chia Chen et al.   HISTOCHEMISTRY AND CELL BIOLOGY

Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries

(2009) Henrike Veith et al.   NATURE BIOTECHNOLOGY

The Flavonoid Glycosides, Myricitrin, Gossypin and Naringin Exert Anxiolytic Action in Mice

(2009) Sebastian P. Fernandez et al.   NEUROCHEMICAL RESEARCH

QNA-based ‘Star Track’ QSAR approach

(2009) D.A. Filimonov et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY