Lista de obras - Vladimir Poroikov - Dominio Público Uruguay

(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds

artículo científico publicado en 2019

20(th) EuroQSAR: Understanding Chemical-Biological Interactions

artículo científico publicado en 2015

3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation

scientific article published on 01 September 2020

A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis.

artículo científico publicado en 2017

A new approach to QSAR modelling of acute toxicity†

article

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

artículo científico publicado en 2004

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

artículo científico publicado en 2017

Ameliorative effect of Curcumin on seizure severity, depression like behavior, learning and memory deficit in post-pentylenetetrazole-kindled mice

artículo científico publicado en 2013

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

scientific article published on 12 November 2019

AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity

scientific article published on 01 February 2020

Anticonvulsant activity and acute neurotoxic profile of Achyranthes aspera Linn

artículo científico publicado en 2017

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

artículo científico publicado en 2007

Chemical Diversity of Soft Coral Steroids and Their Pharmacological Activities

scientific article published on 02 December 2020

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

artículo científico publicado en 2014

Collaborative development of predictive toxicology applications

artículo científico publicado en 2010

Comparative analysis of amino acid sequences from envelope proteins isolated from different hepatitis C virus variants: possible role of conservative and variable regions.

artículo científico publicado en 2000

Computer Evaluation of Drug Interactions with P-Glycoprotein

artículo científico publicado en 2013

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

article

Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body

artículo científico publicado en 2020

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

article published in 2009

Computer-aided design and discovery of protein-protein interaction inhibitors as agents for anti-HIV therapy

artículo científico publicado en 2014

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

artículo científico publicado en 2008

Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agents

artículo científico publicado en 2017

Computer-aided prediction for medicinal chemistry via the Internet.

artículo científico publicado en 2008

Computer-aided prediction of QT-prolongation

artículo científico publicado en 2008

Computer-aided rodent carcinogenicity prediction.

artículo científico publicado en 2005

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

artículo científico publicado en 2003

Correction: QSAR without borders

scientific article published on 22 May 2020

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

artículo científico publicado en 2013

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

scientific article published on 10 September 2019

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

artículo científico publicado en 2020

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

artículo científico publicado en 2004

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

artículo científico publicado en 2014

Design, synthesis, computational and biological evaluation of new anxiolytics

artículo científico publicado en 2004

Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia.

artículo científico publicado en 2008

Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).

artículo científico publicado en 2001

Drug-drug interaction prediction using PASS

artículo científico publicado en 2019

Endocrine disruption profile analysis of 11,416 chemicals from chemometrical tools

artículo científico publicado en 2007

Etoposide-Induced Apoptosis in Cancer Cells Can Be Reinforced by an Uncoupled Link between Hsp70 and Caspase-3

artículo científico publicado en 2018

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

artículo científico publicado en 2008

Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors

artículo científico publicado en 2011

Fragment-based lead design

article published in 2012

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

artículo científico publicado en 2010

Highly oxygenated isoprenoid lipids derived from fungi and fungal endophytes: origin and biological activities

article

How good are publicly available web services that predict bioactivity profiles for drug repurposing?

artículo científico publicado en 2017

How to acquire new biological activities in old compounds by computer prediction.

artículo científico publicado en 2002

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

artículo científico

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

artículo científico

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

artículo científico publicado en 2019

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

artículo científico

In silico assessment of adverse drug reactions and associated mechanisms

artículo científico

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

artículo científico publicado en 2012

In silico method for identification of promising anticancer drug targets.

artículo científico publicado en 2009

Investigation of the structure and prediction of the biological activity of 1,3-bis(3-cyano-6,6-dimethyl- 2-oxo-5,6-dihydro-2H-pyran-4-yl)- 2-(4-methoxyphenyl)propane*

article published in 2009

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.

artículo científico publicado en 2017

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

artículo científico publicado en 2014

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing

artículo científico publicado en 2021

Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery.

artículo científico publicado en 2017

Multi-omics "upstream analysis" of regulatory genomic regions helps identifying targets against methotrexate resistance of colon cancer.

artículo científico publicado en 2016

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

artículo científico publicado en 2010

Natural peroxy anticancer agents

artículo científico publicado en 2007

Naturally occurring plant isoquinoline N-oxide alkaloids: their pharmacological and SAR activities

artículo científico publicado en 2014

Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models

artículo científico publicado en 2015

Novel antimicrobial agents' discovery among the steroid derivatives

scientific article published on 15 February 2019

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

artículo científico publicado en 2012

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

artículo científico publicado en 2015

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

artículo científico publicado en 2003

PASS-assisted exploration of new therapeutic potential of natural products

PASS-based approach to predict HIV-1 reverse transcriptase resistance

artículo científico publicado en 2016

PASS-based prediction of metabolites detection in biological systems

artículo científico publicado en 2019

PASS: identification of probable targets and mechanisms of toxicity†

article

Pharmacological profile of natural and synthetic compounds with rigid adamantane-based scaffolds as potential agents for the treatment of neurodegenerative diseases

artículo científico publicado en 2020

Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation

artículo científico publicado en 2017

Postgenomic chemistry (IUPAC Technical Report)

Predicting Biotransformation Potential from Molecular Structure

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.

artículo científico publicado en 2007

Prediction of biological activity spectra via the Internet.

artículo científico publicado en 2003

Prediction of metabolites of epoxidation reaction in MetaTox

artículo científico publicado en 2017

Prediction of protein functional specificity without an alignment

artículo científico publicado en 2006

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

artículo científico publicado en 2016

QNA-based 'Star Track' QSAR approach.

artículo científico publicado en 2009

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors

artículo científico

QSAR Modeling and Prediction of Drug-Drug Interactions

artículo científico publicado en 2015

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

article

QSAR without borders

artículo científico publicado en 2020

Quantitative prediction of antitarget interaction profiles for chemical compounds

artículo científico publicado en 2012

Rational design of macrolides by virtual screening of combinatorial libraries generated through in silico manipulation of polyketide synthases.

artículo científico publicado en 2006

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

artículo científico publicado en 2015

Revealing pharmacodynamics of medicinal plants using in silico approach: A case study with wet lab validation

article

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

artículo científico publicado en 2015

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

artículo científico publicado en 2003

Synthesis and anticancer activity of quinopimaric and maleopimaric acids’ derivatives

artículo científico publicado en 2014

Synthesis and chemoinformatics analysis of N-aryl-β-alanine derivatives

article

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles

artículo científico publicado en 2011

Tools for prediction of xenobiotics interaction with human cytochrome P450

Using systems medicine to identify a therapeutic agent with potential for repurposing in inflammatory bowel disease

artículo científico publicado en 2020

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

artículo científico publicado en 2015

Why relevant chemical information cannot be exchanged without disclosing structures

article by Dmitry Filimonov et al published September 2005 in Journal of Computer - Aided Molecular Design

Lista de obras de Vladimir Poroikov

(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds

20(th) EuroQSAR: Understanding Chemical-Biological Interactions

3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation

A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis.

A new approach to QSAR modelling of acute toxicity†

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

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

Ameliorative effect of Curcumin on seizure severity, depression like behavior, learning and memory deficit in post-pentylenetetrazole-kindled mice

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

AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity

Anticonvulsant activity and acute neurotoxic profile of Achyranthes aspera Linn

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

Chemical Diversity of Soft Coral Steroids and Their Pharmacological Activities

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

Comparative analysis of amino acid sequences from envelope proteins isolated from different hepatitis C virus variants: possible role of conservative and variable regions.

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 Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body

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

Computer-aided design and discovery of protein-protein interaction inhibitors as agents for anti-HIV therapy

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

Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agents

Computer-aided prediction for medicinal chemistry via the Internet.

Computer-aided prediction of QT-prolongation

Computer-aided rodent carcinogenicity prediction.

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

Correction: QSAR without borders

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

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

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

Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia.

Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).

Drug-drug interaction prediction using PASS

Endocrine disruption profile analysis of 11,416 chemicals from chemometrical tools

Etoposide-Induced Apoptosis in Cancer Cells Can Be Reinforced by an Uncoupled Link between Hsp70 and Caspase-3

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

Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors

Fragment-based lead design

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

Highly oxygenated isoprenoid lipids derived from fungi and fungal endophytes: origin and biological activities

How good are publicly available web services that predict bioactivity profiles for drug repurposing?

How to acquire new biological activities in old compounds by computer prediction.

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.

Investigation of the structure and prediction of the biological activity of 1,3-bis(3-cyano-6,6-dimethyl- 2-oxo-5,6-dihydro-2H-pyran-4-yl)- 2-(4-methoxyphenyl)propane*

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.

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

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing

Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery.

Multi-omics "upstream analysis" of regulatory genomic regions helps identifying targets against methotrexate resistance of colon cancer.

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

Natural peroxy anticancer agents

Naturally occurring plant isoquinoline N-oxide alkaloids: their pharmacological and SAR activities

Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models

Novel antimicrobial agents' discovery among the steroid derivatives

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 approach to predict HIV-1 reverse transcriptase resistance

PASS-based prediction of metabolites detection in biological systems

PASS: identification of probable targets and mechanisms of toxicity†

Pharmacological profile of natural and synthetic compounds with rigid adamantane-based scaffolds as potential agents for the treatment of neurodegenerative diseases

Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation

Postgenomic chemistry (IUPAC Technical Report)

Predicting Biotransformation Potential from Molecular Structure

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 metabolites of epoxidation reaction in MetaTox