List of works - Alexey Lagunin

A new approach to QSAR modelling of acute toxicity†

article

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs.

scientific article published on 5 December 2017

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

scientific article published on 12 November 2019

Antihypoxic Action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea Cell Cultures: In Silico and Animal Studies

scientific article published on 14 July 2020

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

scientific article published on 19 July 2019

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.

scientific article published on 25 January 2018

CYCLONET--an integrated database on cell cycle regulation and carcinogenesis

scientific article

Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

scientific article

Collaborative development of predictive toxicology applications

scientific article

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K and IC Values of Antitarget Inhibitors

scholarly article by Alexey Lagunin et al published 2018 in Frontiers in Pharmacology

Computer Evaluation of Drug Interactions with P-Glycoprotein

scientific article published on 01 February 2013

Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine

article

Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT

article published in 2009

Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition

scientific article published on 27 February 2008

Computer-aided prediction of QT-prolongation

scientific article

Computer-aided rodent carcinogenicity prediction.

scientific article

Computer-aided selection of potential antihypertensive compounds with dual mechanism of action

scientific article

DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula.

scientific article published on 5 June 2013

Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation

scientific article

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

scientific article

Design, synthesis, computational and biological evaluation of new anxiolytics

scientific article published in December 2004

Evaluation of the local anaesthetic activity of 3-aminobenzo[d]isothiazole derivatives using the rat sciatic nerve model

scientific article published on 27 April 2008

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates

scientific article

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

scientific article published on 12 March 2015

Identification of drug-induced myocardial infarction-related protein targets through the prediction of drug-target interactions and analysis of biological processes

scientific article published on 18 June 2014

Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing

scientific article published on 24 September 2019

In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions

scientific article published on February 2017

In silico assessment of adverse drug reactions and associated mechanisms

scientific article published on 10 August 2015

In silico fragment-based drug design using a PASS approach.

scientific article

In silico method for identification of promising anticancer drug targets.

scientific article

Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.

scientific article published on 17 January 2014

Multi-targeted natural products evaluation based on biological activity prediction with PASS.

scientific article

OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia

scientific article

PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach

scientific article

PASS biological activity spectrum predictions in the enhanced open NCI database browser

scientific article published on January 2003

PASS-assisted exploration of new therapeutic potential of natural products

PASS-based prediction of metabolites detection in biological systems

scientific article published on 23 September 2019

PASS: identification of probable targets and mechanisms of toxicity†

article

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

scientific article published on 31 October 2020

Prediction of biological activity profiles of cyanobacterial secondary metabolites.

scientific article published on October 2007

Prediction of biological activity spectra via the Internet.

scientific article published on October 2003

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

scientific article published on 28 November 2016

QNA-based 'Star Track' QSAR approach.

scientific article published in October 2009

QSAR Modeling and Prediction of Drug-Drug Interactions

scientific article published on 15 December 2015

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

article

Quantitative analysis of structure-activity relationships of tetrahydro-2H-isoindole cyclooxygenase-2 inhibitors.

scientific article published on January 2015

Quantitative prediction of antitarget interaction profiles for chemical compounds

scientific article published on 2 November 2012

Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

scientific article published on 12 February 2019

Revealing Medicinal Plants That Are Useful for the Comprehensive Management of Epilepsy and Associated Comorbidities through In Silico Mining of Their Phytochemical Diversity

scientific article published on 9 April 2015

SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.

scientific article published on 11 February 2015

Study of local anesthetic activity of some derivatives of 3-amino-benzo-[d]-isothiazole.

scientific article published on October 2003

Synthesis and anti-inflammatory activity of ethynylthiazoles

Synthesis and in silico biological activity evaluation of new N-substituted pyrazolo-oxazin-2-one systems

scientific article

Tools for prediction of xenobiotics interaction with human cytochrome P450

Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targets

scientific article published on 11 September 2015

List of works by Alexey Lagunin

A new approach to QSAR modelling of acute toxicity†

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs.

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

Antihypoxic Action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea Cell Cultures: In Silico and Animal Studies

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.

CYCLONET--an integrated database on cell cycle regulation and carcinogenesis

Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

Collaborative development of predictive toxicology applications

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K and IC Values of Antitarget Inhibitors

Computer Evaluation of Drug Interactions with P-Glycoprotein

Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine

Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT

Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition

Computer-aided prediction of QT-prolongation

Computer-aided rodent carcinogenicity prediction.

Computer-aided selection of potential antihypertensive compounds with dual mechanism of action

DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula.

Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

Design, synthesis, computational and biological evaluation of new anxiolytics

Evaluation of the local anaesthetic activity of 3-aminobenzo[d]isothiazole derivatives using the rat sciatic nerve model

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

Identification of drug-induced myocardial infarction-related protein targets through the prediction of drug-target interactions and analysis of biological processes

Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing

In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions

In silico assessment of adverse drug reactions and associated mechanisms

In silico fragment-based drug design using a PASS approach.

In silico method for identification of promising anticancer drug targets.

Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.

Multi-targeted natural products evaluation based on biological activity prediction with PASS.

OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia

PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach

PASS biological activity spectrum predictions in the enhanced open NCI database browser

PASS-assisted exploration of new therapeutic potential of natural products

PASS-based prediction of metabolites detection in biological systems

PASS: identification of probable targets and mechanisms of toxicity†

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

Prediction of biological activity profiles of cyanobacterial secondary metabolites.

Prediction of biological activity spectra via the Internet.

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

QNA-based 'Star Track' QSAR approach.

QSAR Modeling and Prediction of Drug-Drug Interactions

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

Quantitative analysis of structure-activity relationships of tetrahydro-2H-isoindole cyclooxygenase-2 inhibitors.

Quantitative prediction of antitarget interaction profiles for chemical compounds

Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

Revealing Medicinal Plants That Are Useful for the Comprehensive Management of Epilepsy and Associated Comorbidities through In Silico Mining of Their Phytochemical Diversity

SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.

Study of local anesthetic activity of some derivatives of 3-amino-benzo-[d]-isothiazole.

Synthesis and anti-inflammatory activity of ethynylthiazoles

Synthesis and in silico biological activity evaluation of new N-substituted pyrazolo-oxazin-2-one systems

Tools for prediction of xenobiotics interaction with human cytochrome P450

Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targets