A A Lagunin

Affiliations

Institute of Biomedical Chemistry, 10, Bldg. 8, Pogodinskaya Str., Moscow, 119121, Russia.

Publications (28)

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

Journal of chemical information and modeling

Avec: Alexey A Lagunin , Athina Geronikaki , Phaedra Eleftheriou , Pavel V Pogodin , Alexey V Zakharov

Relationships between the Structure and Severe Drug-Induced Liver Injury for Low, Medium, and High Doses of Drugs.

Chemical research in toxicology

Avec: Sergey M Ivanov , Alexey A Lagunin , Dmitry A Filimonov , Vladimir V Poroikov

Computer-aided Evaluation of Polyvalent Medications' Pharmacological Potential. Multiphytoadaptogen as a Case Study.

Molecular informatics

Avec: O A Bocharova , N S Ionov , I V Kazeev , V E Shevchenko , E V Bocharov , R V Karpova , O P Sheychenko , A A Aksyonov , S V Chulkova , V G Kucheryanu , A V Revishchin , G V Pavlova , V S Kosorukov , D A Filimonov , A A Lagunin , V B Matveev , N V Pyatigorskaya , I S Stilidi , V V Poroikov

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

Immunology

Avec: Anton S Smirnov , Anastasia V Rudik , Dmitry A Filimonov , Alexey A Lagunin

Towards Novel Potential Molecular Targets for Antidepressant and Antipsychotic Pharmacotherapies.

International journal of molecular sciences

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

Prediction of Drug-Drug Interactions Related to Inhibition or Induction of Drug-Metabolizing Enzymes.

Current topics in medicinal chemistry

Avec: Alexander V Dmitriev , Alexey A Lagunin , Dmitry А Karasev , Anastasia V Rudik , Pavel V Pogodin , Dmitry A Filimonov , Vladimir V Poroikov

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

SAR and QSAR in environmental research

Avec: P V Pogodin , A A Lagunin , D A Filimonov , M C Nicklaus , V V Poroikov

[Possibilities of in silico estimations for the development of pharmaceutical composition phytoladaptogene cytotoxic for bladder cancer cells].

Biomeditsinskaia khimiia

Avec: N S Ionov , M A Baryshnikova , E V Bocharov , P V Pogodin , A A Lagunin , D A Filimonov , R V Karpova , V S Kosorukov , I S Stilidi , V B Matveev , O A Bocharova , V V Poroikov

[Predict of metabolic stability of xenobiotics by the PASS and GUSAR programs].

Biomeditsinskaia khimiia

Avec: E I Korotkevich , A V Rudik , A V Dmitriev , A A Lagunin , D A Filimonov

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

International journal of molecular sciences

Avec: Anton D Zadorozhny , Anastasia V Rudik , Dmitry A Filimonov , Alexey A Lagunin

Combined network pharmacology and virtual reverse pharmacology approaches for identification of potential targets to treat vascular dementia.

Scientific reports

Avec: Alexey A Lagunin , Sergey M Ivanov , Tatyana A Gloriozova , Pavel V Pogodin , Dmitry A Filimonov , Sandeep Kumar , Rajesh K Goel

BC CLC-Pred: a freely available web-application for quantitative and qualitative predictions of substance cytotoxicity in relation to human breast cancer cell lines.

SAR and QSAR in environmental research

Avec: A A Lagunin , A S Sezganova , E S Muraviova , A V Rudik , D A Filimonov

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

Viruses

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

PASS-based prediction of metabolites detection in biological systems.

SAR and QSAR in environmental research

Avec: A V Rudik , A V Dmitriev , A A Lagunin , D A Filimonov , V V Poroikov

[Xenobiotic toxicity prediction combined with xenobiotic metabolism prediction in the human body].

Biomeditsinskaia khimiia

Avec: A V Rudik , A V Dmitriev , A A Lagunin , S M Ivanov , D A Filimonov , V V Poroikov

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

Pharmaceutics

Avec: Alexander V Dmitriev , Anastassia V Rudik , Dmitry A Karasev , Pavel V Pogodin , Alexey A Lagunin , Dmitry A Filimonov , Vladimir V Poroikov

The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain.

Computational biology and chemistry

Avec: Dmitry A Karasev , Boris N Sobolev , Alexey A Lagunin , Dmitry A Filimonov , Vladimir V Poroikov

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

Life (Basel, Switzerland)

Avec: Svetlana I Zhuravleva , Anton D Zadorozhny , Boris V Shilov , Alexey A Lagunin

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

Molecules (Basel, Switzerland)

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

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.

International journal of molecular sciences

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

MDM-Pred: a freely available web application for predicting the metabolism of drug-like compounds by the gut microbiota.

SAR and QSAR in environmental research

Avec: A S Kolodnitsky , N S Ionov , A V Rudik , A A Lagunin , D A Filimonov , V V Poroikov

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

Molecular informatics

Avec: Sergey M Ivanov , Anastasia V Rudik , Alexey A Lagunin , Dmitry A Filimonov , Vladimir V Poroikov

Drug-drug interaction prediction using PASS.

SAR and QSAR in environmental research

Avec: A V Dmitriev , D A Filimonov , A V Rudik , P V Pogodin , D A Karasev , A A Lagunin , V V Poroikov

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

Journal of chemical information and modeling

Avec: Pavel V Pogodin , Alexey A Lagunin , Anastasia V Rudik , Dmitry S Druzhilovskiy , Dmitry A Filimonov , Vladimir V Poroikov

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

Molecules (Basel, Switzerland)

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

MetaTox 2.0: Estimating the Biological Activity Spectra of Drug-like Compounds Taking into Account Probable Biotransformations.

ACS omega

Avec: Anastasia V Rudik , Alexander V Dmitriev , Alexey A Lagunin , Dmitry A Filimonov , Vladimir V Poroikov

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

International journal of molecular sciences

Avec: Dmitry A Dmitriev , Boris V Shilov , Michail M Polunin , Anton D Zadorozhny , Alexey A Lagunin

Different iPSC-derived neural stem cells shows various spectrums of spontaneous differentiation during long term cultivation.

Frontiers in molecular neuroscience

Avec: Adelya Albertovna Galiakberova , Olga Igorevna Brovkina , Nikolay Vitalyevich Kondratyev , Alexander Sergeevich Artyuhov , Ekaterina Dmitrievna Momotyuk , Olga Nikolaevna Kulmukhametova , Alexey Aleksandrovich Lagunin , Boris Vladimirovich Shilov , Anton Dmitrievich Zadorozhny , Igor Sergeevitch Zakharov , Larisa Sergeevna Okorokova , Vera Evgenievna Golimbet , Erdem Bairovich Dashinimaev

Réseau de co-auteurs

Alexey A Lagunin 18 collaborations

Dmitry A Filimonov 12 collaborations

Vladimir V Poroikov 10 collaborations

D A Filimonov 9 collaborations

V V Poroikov 7 collaborations

Anastasia V Rudik 7 collaborations

Pavel V Pogodin 6 collaborations

A V Rudik 6 collaborations

Sergey M Ivanov 4 collaborations

Alexander V Dmitriev 4 collaborations

A V Dmitriev 4 collaborations

N S Ionov 3 collaborations

P V Pogodin 3 collaborations

Anton D Zadorozhny 3 collaborations

O A Bocharova 2 collaborations

E V Bocharov 2 collaborations

R V Karpova 2 collaborations

V S Kosorukov 2 collaborations

V B Matveev 2 collaborations

I S Stilidi 2 collaborations

Anastassia V Rudik 2 collaborations

Olga A Tarasova 2 collaborations

Dmitry A Karasev 2 collaborations

Boris V Shilov 2 collaborations

Sophia S Borisevich 2 collaborations

Anastasia D Shagina 2 collaborations

Dmitri V Tarasenko 2 collaborations

Aiarpi A Ezdoglian 2 collaborations

Tatiana A Shmigol 2 collaborations

Yuri I Baukov 2 collaborations

Vadim V Negrebetsky 2 collaborations

Dmitry S Druzhilovskiy 2 collaborations

Athina Geronikaki 1 collaboration

Phaedra Eleftheriou 1 collaboration

Alexey V Zakharov 1 collaboration

I V Kazeev 1 collaboration

V E Shevchenko 1 collaboration

O P Sheychenko 1 collaboration

A A Aksyonov 1 collaboration

S V Chulkova 1 collaboration

V G Kucheryanu 1 collaboration

A V Revishchin 1 collaboration

G V Pavlova 1 collaboration

N V Pyatigorskaya 1 collaboration

Anton S Smirnov 1 collaboration

Yuriy M Kositsyn 1 collaboration

Murilo S de Abreu 1 collaboration

Tatiana O Kolesnikova 1 collaboration

Hasmik S Harutyunyan 1 collaboration

Konstantin B Yenkoyan 1 collaboration

Allan V Kalueff 1 collaboration

Dmitry А Karasev 1 collaboration

M C Nicklaus 1 collaboration

M A Baryshnikova 1 collaboration

E I Korotkevich 1 collaboration

Tatyana A Gloriozova 1 collaboration

Sandeep Kumar 1 collaboration

Rajesh K Goel 1 collaboration

A S Sezganova 1 collaboration

E S Muraviova 1 collaboration

Anastasiia Iu Paremskaia 1 collaboration

S M Ivanov 1 collaboration

Boris N Sobolev 1 collaboration

Svetlana I Zhuravleva 1 collaboration

Eugene P Kramarova 1 collaboration

Edward M Khamitov 1 collaboration

Alexander A Korlyukov 1 collaboration

Pavel V Dorovatovskii 1 collaboration

Konstantin S Mineev 1 collaboration

Roman A Novikov 1 collaboration

Ivan Boldyrev 1 collaboration

Natalia Yu Karpechenko 1 collaboration

Polina I Savosina 1 collaboration

Nadezhda Y Biziukova 1 collaboration

A S Kolodnitsky 1 collaboration

D A Karasev 1 collaboration

Denis A Borozdenko 1 collaboration

Darya I Gonchar 1 collaboration

Dmitri N Lyakhmun 1 collaboration

Yaroslav V Golubev 1 collaboration

Elvira A Cherkashova 1 collaboration

Daria D Namestnikova 1 collaboration

Ilya L Gubskiy 1 collaboration

Leonid V Gubsky 1 collaboration

Vladimir P Chekhonin 1 collaboration

Maxim A Gureev 1 collaboration

Nina M Kiseleva 1 collaboration

Dmitry A Dmitriev 1 collaboration

Michail M Polunin 1 collaboration

Adelya Albertovna Galiakberova 1 collaboration

Olga Igorevna Brovkina 1 collaboration

Nikolay Vitalyevich Kondratyev 1 collaboration

Alexander Sergeevich Artyuhov 1 collaboration

Ekaterina Dmitrievna Momotyuk 1 collaboration

Olga Nikolaevna Kulmukhametova 1 collaboration

Alexey Aleksandrovich Lagunin 1 collaboration

Boris Vladimirovich Shilov 1 collaboration

Anton Dmitrievich Zadorozhny 1 collaboration

Igor Sergeevitch Zakharov 1 collaboration

Larisa Sergeevna Okorokova 1 collaboration

Vera Evgenievna Golimbet 1 collaboration

Erdem Bairovich Dashinimaev 1 collaboration