Works by Lagunin, Alexey A.

Results: 39

Metatox - Web application for generation of metabolic pathways and toxicity estimation.

Published in:

Journal of Bioinformatics & Computational Biology, 2019, v. 17, n. 1, p. N.PAG, doi. 10.1142/S0219720019400018

By:

Rudik, Anastasiya;
Bezhentsev, Vladislav;
Dmitriev, Alexander;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

PASS: prediction of activity spectra for biologically active substances.

Published in:

Bioinformatics, 2000, v. 16, n. 8, p. 747, doi. 10.1093/bioinformatics/16.8.747

By:

Lagunin, Alexey;
Stepanchikova, Alla;
Filimonov, Dmitrii;
Poroikov, Vladimir

Publication type:

Article

CYCLONET—an integrated database on cell cycle regulation and carcinogenesis.

Published in:

Nucleic Acids Research, 2007, v. 35, p. d550, doi. 10.1093/nar/gkl912

By:

Kolpakov, Fedor;
Poroikov, Vladimir;
Sharipov, Ruslan;
Kondrakhin, Yury;
Zakharov, Alexey;
Lagunin, Alexey;
Milanesi, Luciano;
Kel, Alexander

Publication type:

Article

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

Published in:

Journal of Biomedical Semantics, 2012, v. 3, n. Suppl 1, p. 1, doi. 10.1186/2041-1480-3-S1-S7

By:

Tcheremenskaia, Olga;
Benigni, Romualdo;
Nikolova, Ivelina;
Jeliazkova, Nina;
Escher, Sylvia E.;
Batke, Monika;
Baier, Thomas;
Poroikov, Vladimir;
Lagunin, Alexey;
Rautenberg, Micha;
Hardy, Barry

Publication type:

Article

Pyridine Carboxamides Based on Sulfobetaines: Design, Reactivity, and Biological Activity.

Published in:

Molecules, 2022, v. 27, n. 21, p. 7542, doi. 10.3390/molecules27217542

By:

Kramarova, Eugene P.;
Borisevich, Sophia S.;
Khamitov, Edward M.;
Korlyukov, Alexander A.;
Dorovatovskii, Pavel V.;
Shagina, Anastasia D.;
Mineev, Konstantin S.;
Tarasenko, Dmitri V.;
Novikov, Roman A.;
Lagunin, Alexey A.;
Boldyrev, Ivan;
Ezdoglian, Aiarpi A.;
Karpechenko, Natalia Yu.;
Shmigol, Tatiana A.;
Baukov, Yuri I.;
Negrebetsky, Vadim V.

Publication type:

Article

A Novel Phenylpyrrolidine Derivative: Synthesis and Effect on Cognitive Functions in Rats with Experimental Ishemic Stroke.

Published in:

Molecules, 2021, v. 26, n. 20, p. 6124, doi. 10.3390/molecules26206124

By:

Borozdenko, Denis A.;
Ezdoglian, Aiarpi A.;
Shmigol, Tatiana A.;
Gonchar, Darya I.;
Lyakhmun, Dmitri N.;
Tarasenko, Dmitri V.;
Golubev, Yaroslav V.;
Cherkashova, Elvira A.;
Namestnikova, Daria D.;
Gubskiy, Ilya L.;
Lagunin, Alexey A.;
Gubsky, Leonid V.;
Chekhonin, Vladimir P.;
Borisevich, Sophia S.;
Gureev, Maxim A.;
Shagina, Anastasia D.;
Kiseleva, Nina M.;
Negrebetsky, Vadim V.;
Baukov, Yuri I.

Publication type:

Article

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation.

Published in:

Molecules, 2019, v. 24, n. 21, p. 3955, doi. 10.3390/molecules24213955

By:

Dmitriev, Alexander;
Filimonov, Dmitry;
Lagunin, Alexey;
Karasev, Dmitry;
Pogodin, Pavel;
Rudik, Anastasiya;
Poroikov, Vladimir;
Geronikaki, Athina

Publication type:

Article

QNA-Based Prediction of Sites of Metabolism.

Published in:

Molecules, 2017, v. 22, n. 12, p. 2123, doi. 10.3390/molecules22122123

By:

Tarasova, Olga;
Rudik, Anastassia;
Dmitriev, Alexander;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

DIGEP‐Pred 2.0: A web application for predicting drug‐induced cell signaling and gene expression changes.

Published in:

Molecular Informatics, 2024, v. 43, n. 12, p. 1, doi. 10.1002/minf.202400032

By:

Ivanov, Sergey M.;
Rudik, Anastasia V.;
Lagunin, Alexey A.;
Filimonov, Dmitry A.;
Poroikov, Vladimir V.

Publication type:

Article

MetaPASS: A Web Application for Analyzing the Biological Activity Spectrum of Organic Compounds Taking into Account their Biotransformation.

Published in:

Molecular Informatics, 2021, v. 40, n. 4, p. 1, doi. 10.1002/minf.202000231

By:

Rudik, Anastasia;
Dmitriev, Alexander;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Molecular Informatics, 2020, v. 39, n. 11, p. 1, doi. 10.1002/minf.202000093

By:

Lagunin, Alexey;
Povydysh, Maria;
Ivkin, Dmitry;
Luzhanin, Vladimir;
Krasnova, Marina;
Okovityi, Sergei;
Nosov, Alexander;
Titova, Maria;
Tomilova, Svetlana;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Molecular Informatics, 2017, v. 36, n. 7, p. n/a, doi. 10.1002/minf.201600142

By:

Ivanov, Sergey;
Semin, Maxim;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Molecular Informatics, 2011, v. 30, n. 2/3, p. 241, doi. 10.1002/minf.201000151

By:

Lagunin, Alexey;
Zakharov, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K<sub>i</sub> and IC<sub>50</sub> Values of Antitarget Inhibitors.

Published in:

Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.01136

By:

Lagunin, Alexey A.;
Romanova, Maria A.;
Zadorozhny, Anton D.;
Kurilenko, Natalia S.;
Shilov, Boris V.;
Pogodin, Pavel V.;
Ivanov, Sergey M.;
Filimonov, Dmitry A.;
Poroikov, Vladimir V.

Publication type:

Article

Integral estimation of xenobiotics' toxicity with regard to their metabolism in human organism.

Published in:

Pure & Applied Chemistry, 2017, v. 89, n. 10, p. 1449, doi. 10.1515/pac-2016-1205

By:

Dmitriev, Alexander;
Rudik, Anastasia;
Filimonov, Dmitry;
Lagunin, Alexey;
Pogodin, Pavel;
Dubovskaja, Varvara;
Bezhentsev, Vladislav;
Ivanov, Sergey;
Druzhilovsky, Dmitry;
Tarasova, Olga;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0183-x

By:

Rudik, Anastasia;
Dmitriev, Alexander;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

PLoS ONE, 2018, v. 13, n. 1, p. 1, doi. 10.1371/journal.pone.0191838

By:

Lagunin, Alexey A.;
Dubovskaja, Varvara I.;
Rudik, Anastasia V.;
Pogodin, Pavel V.;
Druzhilovskiy, Dmitry S.;
Gloriozova, Tatyana A.;
Filimonov, Dmitry A.;
Sastry, Narahari G.;
Poroikov, Vladimir V.

Publication type:

Article

TCR‐Pred: A new web‐application for prediction of epitope and MHC specificity for CDR3 TCR sequences using molecular fragment descriptors.

Published in:

Immunology, 2023, v. 169, n. 4, p. 447, doi. 10.1111/imm.13641

By:

Smirnov, Anton S.;
Rudik, Anastasia V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.

Publication type:

Article

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

Published in:

PLoS Computational Biology, 2019, v. 15, n. 7, p. 1, doi. 10.1371/journal.pcbi.1006851

By:

Ivanov, Sergey;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Bioinformatics, 2013, v. 29, n. 16, p. 2062, doi. 10.1093/bioinformatics/btt322

By:

Lagunin, Alexey;
Ivanov, Sergey;
Rudik, Anastasia;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

Sequence-structure based prediction of pathogenicity for amino acid substitutions in proteins associated with primary immunodeficiencies.

Published in:

Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2025.1492751

By:

Porfireva, Ekaterina S.;
Zadorozhny, Anton D.;
Rudik, Anastasia V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.

Publication type:

Article

Prediction of Protein Secondary Structures Based on Substructural Descriptors of Molecular Fragments.

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 23, p. 12525, doi. 10.3390/ijms252312525

By:

Zakharov, Oleg S.;
Rudik, Anastasia V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.

Publication type:

Article

Predicting the Impact of OTOF Gene Missense Variants on Auditory Neuropathy Spectrum Disorder.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 24, p. 17240, doi. 10.3390/ijms242417240

By:

Dmitriev, Dmitry A.;
Shilov, Boris V.;
Polunin, Michail M.;
Zadorozhny, Anton D.;
Lagunin, Alexey A.

Publication type:

Article

Towards Novel Potential Molecular Targets for Antidepressant and Antipsychotic Pharmacotherapies.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 11, p. 9482, doi. 10.3390/ijms24119482

By:

Kositsyn, Yuriy M.;
de Abreu, Murilo S.;
Kolesnikova, Tatiana O.;
Lagunin, Alexey A.;
Poroikov, Vladimir V.;
Harutyunyan, Hasmik S.;
Yenkoyan, Konstantin B.;
Kalueff, Allan V.

Publication type:

Article

SAV-Pred: A Freely Available Web Application for the Prediction of Pathogenic Amino Acid Substitutions for Monogenic Hereditary Diseases Studied in Newborn Screening.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2463, doi. 10.3390/ijms24032463

By:

Zadorozhny, Anton D.;
Rudik, Anastasia V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.

Publication type:

Article

CLC-Pred 2.0: A Freely Available Web Application for In Silico Prediction of Human Cell Line Cytotoxicity and Molecular Mechanisms of Action for Druglike Compounds.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 2, p. 1689, doi. 10.3390/ijms24021689

By:

Lagunin, Alexey A.;
Rudik, Anastasia V.;
Pogodin, Pavel V.;
Savosina, Polina I.;
Tarasova, Olga A.;
Dmitriev, Alexander V.;
Ivanov, Sergey M.;
Biziukova, Nadezhda Y.;
Druzhilovskiy, Dmitry S.;
Filimonov, Dmitry A.;
Poroikov, Vladimir V.

Publication type:

Article

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

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 21, p. 8152, doi. 10.3390/ijms21218152

By:

Karasev, Dmitry;
Sobolev, Boris;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 3, p. 748, doi. 10.3390/ijms21030748

By:

Tarasova, Olga;
Biziukova, Nadezhda;
Kireev, Dmitry;
Lagunin, Alexey;
Ivanov, Sergey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

Prediction of Protein–Ligand Interaction Based on the Positional Similarity Scores Derived from Amino Acid Sequences.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 1, p. 24, doi. 10.3390/ijms21010024

By:

Karasev, Dmitry;
Sobolev, Boris;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

Functional classification of proteins based onprojection of amino acid sequences: application forprediction of protein kinase substrates.

Published in:

BMC Bioinformatics, 2010, v. 11, p. 313, doi. 10.1186/1471-2105-11-313

By:

Sobolev, Boris;
Filimonov, Dmitry;
Lagunin, Alexey;
Zakharov, Alexey;
Koborova, Olga;
Kel, Alexander;
Poroikov, Vladimir

Publication type:

Article

Prediction of pathogenic single amino acid substitutions using molecular fragment descriptors.

Published in:

Bioinformatics, 2023, v. 39, n. 8, p. 1, doi. 10.1093/bioinformatics/btad484

By:

Zadorozhny, Anton;
Smirnov, Anton;
Filimonov, Dmitry;
Lagunin, Alexey

Publication type:

Article

ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction.

Published in:

Bioinformatics, 2018, v. 34, n. 4, p. 710, doi. 10.1093/bioinformatics/btx678

By:

Lagunin, Alexey;
Rudik, Anastasia;
Druzhilovsky, Dmitry;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

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

Published in:

Bioinformatics, 2015, v. 31, n. 12, p. 2046, doi. 10.1093/bioinformatics/btv087

By:

Rudik, Anastasia;
Dmitriev, Alexander;
Lagunin, Alexey;
Filimonov, Dmitry;
Poroikov, Vladimir

Publication type:

Article

Prediction of Amino Acid Substitutions in ABL1 Protein Leading to Tumor Drug Resistance Based on "Structure-Property" Relationship Classification Models.

Published in:

Life (2075-1729), 2023, v. 13, n. 9, p. 1807, doi. 10.3390/life13091807

By:

Zhuravleva, Svetlana I.;
Zadorozhny, Anton D.;
Shilov, Boris V.;
Lagunin, Alexey A.

Publication type:

Article

In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms.

Published in:

Pharmaceutics, 2021, v. 13, n. 4, p. 538, doi. 10.3390/pharmaceutics13040538

By:

Dmitriev, Alexander V.;
Rudik, Anastassia V.;
Karasev, Dmitry A.;
Pogodin, Pavel V.;
Lagunin, Alexey A.;
Filimonov, Dmitry A.;
Poroikov, Vladimir V.;
Kim, Dong Hyun;
Lee, Sangkyu

Publication type:

Article

Web Service for HIV Drug Resistance Prediction Based on Analysis of Amino Acid Substitutions in Main Drug Targets.

Published in:

Viruses (1999-4915), 2023, v. 15, n. 11, p. 2245, doi. 10.3390/v15112245

By:

Paremskaia, Anastasiia Iu.;
Rudik, Anastassia V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.;
Poroikov, Vladimir V.;
Tarasova, Olga A.

Publication type:

Article

Design, Synthesis and Pharmacological Evaluation of Novel Vanadium-Containing Complexes as Antidiabetic Agents.

Published in:

PLoS ONE, 2014, v. 9, n. 7, p. 1, doi. 10.1371/journal.pone.0100386

By:

Fedorova, Elena V.;
Buryakina, Anna V.;
Zakharov, Alexey V.;
Filimonov, Dmitry A.;
Lagunin, Alexey A.;
Poroikov, Vladimir V.

Publication type:

Article

Identification of Drug Targets Related to the Induction of Ventricular Tachyarrhythmia Through a Systems Chemical Biology Approach.

Published in:

Toxicological Sciences, 2015, v. 145, n. 2, p. 321, doi. 10.1093/toxsci/kfv054

By:

Ivanov, Sergey M.;
Lagunin, Alexey A.;
Pogodin, Pavel V.;
Filimonov, Dmitry A.;
Poroikov, Vladimir V.

Publication type:

Article

Network-Based Analysis of OMICs Data to Understand the HIV–Host Interaction.

Published in:

Frontiers in Microbiology, 2020, v. 11, p. 1, doi. 10.3389/fmicb.2020.01314

By:

Ivanov, Sergey;
Lagunin, Alexey;
Filimonov, Dmitry;
Tarasova, Olga

Publication type:

Article