The in silico identification of novel broad-spectrum antidotes for poisoning by organophosphate anticholinesterases

DeePred-BBB: A Blood Brain Barrier Permeability Prediction Model With Improved Accuracy

(2022) Rajnish Kumar et al.   Frontiers in Neuroscience

Synthesis, Molecular Docking, BSA, and in-vitro reactivation study of imidazopyridine oxime against paraoxon inhibited acetylcholinesterase

(2021) Ashima Thakur et al.   Medicinal Chemistry

Ensemble modeling with machine learning and deep learning to provide interpretable generalized rules for classifying CNS drugs with high prediction power

(2021) Tzu-Hui Yu et al.   BRIEFINGS IN BIOINFORMATICS

Prediction of the Blood–Brain Barrier (BBB) Permeability of Chemicals Based on Machine-Learning and Ensemble Methods

(2021) Lili Liu et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Prediction of Blood-Brain Barrier Penetration (BBBP) Based on Molecular Descriptors of the Free-Form and In-Blood-Form Datasets

(2021) Hiroshi Sakiyama et al.   MOLECULES

A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors

(2021) Fanwang Meng et al.   Scientific Data

Predicting Blood–Brain Barrier Permeability of Marine-Derived Kinase Inhibitors Using Ensemble Classifiers Reveals Potential Hits for Neurodegenerative Disorders

(2019) Fabien Plisson et al.   Marine Drugs

Improved Prediction of Blood–Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints

(2018) Yaxia Yuan et al.   AAPS Journal

Nerve Agents: What They Are, How They Work, How to Counter Them

(2018) Stefano Costanzi et al.   ACS Chemical Neuroscience

The revival of the Gini importance?

(2018) Stefano Nembrini et al.   BIOINFORMATICS

In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

(2018) Zhuang Wang et al.   ChemMedChem

Differential proteome analysis of rat plasma after diisopropyl fluorophosphate (DFP) intoxication, a surrogate of nerve agent sarin

(2018) Kalyani Chaubey et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Novel brain-penetrating oximes for reactivation of cholinesterase inhibited by sarin and VX surrogates

(2016) Janice E. Chambers et al.   Annals of the New York Academy of Sciences

Efficacy of novel phenoxyalkyl pyridinium oximes as brain-penetrating reactivators of cholinesterase inhibited by surrogates of sarin and VX

(2016) Janice E. Chambers et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Organophosphate and Carbamate Poisoning

(2015) Andrew M. King et al.   EMERGENCY MEDICINE CLINICS OF NORTH AMERICA

Developing Enhanced Blood–Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR Modeling

(2015) Wenyi Wang et al.   PHARMACEUTICAL RESEARCH

Effect of Different Oximes on Rat and Human Cholinesterases Inhibited by Methamidophos: A ComparativeIn VitroandIn SilicoStudy

(2014) Thiago Henrique Lugokenski et al.   BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY

An In Silico Stereo-electronic Comparison of Conventional Pyridinium Oximes and K-oximes for Organophosphate (OP) Poisoning

(2014) Apurba K. Bhattacharjee et al.   Medicinal Chemistry

In Silico Pharmacophore Modeling on Known Pyridinium Oxime Reactivators of Cyclosarin (GF) Inhibited AChE to Aid Discovery of Potential, More Efficacious Novel Non-Oxime Reactivators

(2013) Apurba Bhattacharjee et al.   Current Computer-Aided Drug Design

In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE

(2013) Rabindranath Lo et al.   PLoS One

Testing of novel brain-penetrating oxime reactivators of acetylcholinesterase inhibited by nerve agent surrogates

(2012) Janice E. Chambers et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Discovery of non-oxime reactivators using an in silico pharmacophore model of oxime reactivators of OP-inhibited acetylcholinesterase

(2012) Apurba K. Bhattacharjee et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Advances in toxicology and medical treatment of chemical warfare nerve agents

(2012) Mohammd Moshiri et al.   DARU-Journal of Pharmaceutical Sciences

Reactivation of brain acetylcholinesterase by monoisonitrosoacetone increases the therapeutic efficacy against nerve agents in guinea pigs

(2010) Jacob W. Skovira et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Application of PAMPA-models to predict BBB permeability including efflux ratio, plasma protein binding and physicochemical parameters

(2010) Jurgen Mensch et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Characteristics of compounds that cross the blood-brain barrier

(2009) William A Banks   BMC Neurology

Pyridinium Oxime Reactivators of Cholinesterase Inhibited by Diisopropyl- Fluorophosphate (DFP): Predictive Value of In-Vitro Testing for In-Vivo Efficacy

(2008) G. Petroianu et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY