Alexey A. Lagunin: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

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

Lagunin, Alexey A., Goel, Rajesh K., Gawande, Dinesh Y., Pahwa, Priynka, Gloriozova, Tatyana A., Dmitriev, Alexander V., Ivanov, Sergey M., Rudik, Anastassia V., Konova, Varvara I., Pogodin, Pavel V.,

Journal:

Natural Product Reports

Year:

2014

Language:

english

File:

PDF, 711 KB

english, 2014

2

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

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

Journal:

BMC Bioinformatics

Year:

2010

Language:

english

File:

PDF, 1.30 MB

english, 2010

3

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

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

Journal:

Scientific Reports

Year:

2020

Language:

english

File:

PDF, 3.32 MB

english, 2020

4

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

Goel, Rajesh, Gawande, Dinesh, Lagunin, Alexey, Randhawa, Puneet, Mishra, Awanish, Poroikov, Vladimir

Journal:

Year:

2015

Language:

english

File:

PDF, 361 KB

english, 2015

5

Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS

Lagunin, Alexey, Filimonov, Dmitry, Poroikov, Vladimir

Journal:

Current Pharmaceutical Design

Year:

2010

Language:

english

File:

PDF, 733 KB

english, 2010

6

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

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

Journal:

Molecular Informatics

Year:

2020

File:

PDF, 1.60 MB

2020

7

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

Alexey Lagunin, Alexey Zakharov, Dmitry Filimonov, Vladimir Poroikov

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 786 KB

english, 2011

8

Design, synthesis, computational and biological evaluation of new anxiolytics

Athina Geronikaki, Eugeni Babaev, John Dearden, Wim Dehaen, Dmitrii Filimonov, Irina Galaeva, Valentina Krajneva, Alexey Lagunin, Fliur Macaev, Guenadiy Molodavkin, Vladimir Poroikov, Serghei Pogrebno

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 367 KB

english, 2004

9

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

Nora Benaamane, Bellara Nedjar-Kolli, Yamina Bentarzi, Lamouri Hammal, Athina Geronikaki, Phaedra Eleftheriou, Alexey Lagunin

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 170 KB

english, 2008

10

Computer-aided predictions of potential antineoplastic agents

Alexey Zakharov, A Lagunin, D Filimonov, V Poroikov

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 74 KB

english, 2008

11

QSAR modelling of acute toxicity in the fathead minnow

Alexey Zakharov, A Lagunin, D Filimonov, V Poroikov

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 74 KB

english, 2008

12

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

Alexey Lagunin, Dmitrii Filimonov, Alexey Zakharov, Wei Xie, Ying Huang, Fucheng Zhu, Tianxiang Shen, Jianhua Yao, Vladimir Poroikov

Journal:

Molecular Informatics

Year:

2009

Language:

english

File:

PDF, 231 KB

english, 2009

13

PASS-assisted exploration of new therapeutic potential of natural products

Rajesh Kumar Goel, Damanpreet Singh, Alexey Lagunin, Vladimir Poroikov

Journal:

Medicinal Chemistry Research

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

14

Computer-Aided Discovery of Anti-Inflammatory Thiazolidinones with Dual Cyclooxygenase/Lipoxygenase Inhibition

Geronikaki, Athina A., Lagunin, Alexey A., Hadjipavlou-Litina, Dimitra I., Eleftheriou, Phaedra T., Filimonov, Dmitrii A., Poroikov, Vladimir V., Alam, Intekhab, Saxena, Anil K.

Journal:

Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 231 KB

english, 2008

15

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

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

Journal:

Journal of Biomedical Semantics

Year:

2012

Language:

english

File:

PDF, 727 KB

english, 2012

16

Design of New Cognition Enhancers: From Computer Prediction to Synthesis and Biological Evaluation

Geronikaki, Athina A., Dearden, John C., Filimonov, Dmitrii, Galaeva, Irina, Garibova, Taissia L., Gloriozova, Tatiana, Krajneva, Valentina, Lagunin, Alexey, Macaev, Fliur Z., Molodavkin, Guenadij

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 116 KB

english, 2004

17

Computer-aided rodent carcinogenicity prediction

Alexey A. Lagunin, John C. Dearden, Dmitri A. Filimonov, Vladimir V. Poroikov

Journal:

Mutation Research/Genetic Toxicology and Environmental Mutagenesis

Year:

2005

Language:

english

File:

PDF, 195 KB

english, 2005

18

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

Athina Geronikaki, Paola Vicini, Nikos Dabarakis, Alexey Lagunin, Vladimir Poroikov, John Dearden, Hassan Modarresi, Mark Hewitt, George Theophilidis

Journal:

European Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 346 KB

english, 2009

19

In silico assessment of acute toxicity in rodents

Alexey Lagunin, Alexey Zakharov, Dmitry Filimonov, Vladimir Poroikov

Journal:

Toxicology Letters

Year:

2009

Language:

english

File:

PDF, 87 KB

english, 2009

20

Quantitative Prediction of Antitarget Interaction Profiles for Chemical Compounds

Zakharov, Alexey V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.

Journal:

Chemical Research in Toxicology

Year:

2012

Language:

english

File:

PDF, 1.33 MB

english, 2012

21

Metabolism Site Prediction Based on Xenobiotic Structural Formulas and PASS Prediction Algorithm

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

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 465 KB

english, 2014

22

Identification of Drug-Induced Myocardial Infarction-Related Protein Targets through the Prediction of Drug–Target Interactions and Analysis of Biological Processes

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

Journal:

Chemical Research in Toxicology

Year:

2014

Language:

english

File:

PDF, 5.37 MB

english, 2014

23

Computer-Aided Selection of Potential Antihypertensive Compounds with Dual Mechanism of Action

Lagunin, Alexey A., Gomazkov, Oleg A., Filimonov, Dmitrii A., Gureeva, Tatyana A., Dilakyan, Elvira A., Kugaevskaya, Elena V., Elisseeva, Yulia E., Solovyeva, Nina I., Poroikov, Vladimir V.

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

24

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

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

Journal:

Year:

2015

Language:

english

File:

PDF, 264 KB

english, 2015

25

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

Fedorova, Elena V., Buryakina, Anna V., Zakharov, Alexey V., Filimonov, Dmitry A., Lagunin, Alexey A., Poroikov, Vladimir V., Barchi, Joseph J.

Journal:

Year:

2014

File:

PDF, 5.00 MB

2014

26

In silico assessment of adverse drug reactions and associated mechanisms

Ivanov, Sergey M., Lagunin, Alexey A., Poroikov, Vladimir V.

Journal:

Drug Discovery Today

Year:

2015

Language:

english

File:

PDF, 500 KB

english, 2015

27

QSAR Modeling and Prediction of Drug-Drug Interactions

Zakharov, Alexey V., Varlamova, Ekaterina V., Lagunin, Alexey A., Dmitriev, Alexander V., Muratov, Eugene N., Fourches, Denis, Kuz'min, Victor E., Poroikov, Vladimir V., Tropsha, Alexander, Nicklaus,

Journal:

Molecular Pharmaceutics

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

28

N,N-Bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies

Nikolin, Alexey A., Kramarova, Eugenia P., Shipov, Alexander G., Baukov, Yuri I., Negrebetsky, Vadim V., Arkhipov, Dmitry E., Korlyukov, Alexander A., Lagunin, Alexey A., Bylikin, Sergey Yu., Bassinda

Journal:

Year:

2016

Language:

english

File:

PDF, 764 KB

english, 2016

29

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

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

Journal:

Molecular Informatics

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

30

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

Rudik, Anastasia V., Bezhentsev, Vladislav M., Dmitriev, Alexander V., Druzhilovskiy, Dmitry S., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 1.02 MB

english, 2017

31

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

Anastasia V. Rudik,Alexander V. Dmitriev,Alexey A. Lagunin…

Journal:

Journal of Cheminformatics

Year:

2016

Language:

english

File:

PDF, 1.47 MB

english, 2016

32

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

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

Journal:

Year:

2017

Language:

english

File:

PDF, 228 KB

english, 2017

33

ADVERPred – web service for prediction of adverse effects of drugs

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

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 804 KB

english, 2017

34

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

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.,

Journal:

Year:

2018

Language:

english

File:

PDF, 1.42 MB

english, 2018

35

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.

Journal:

Frontiers in Chemistry

Year:

2018

Language:

english

File:

PDF, 2.73 MB

english, 2018

36

QNA-Based Prediction of Sites of Metabolism

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

Journal:

Year:

2017

File:

PDF, 2.63 MB

2017

37

QNA-Based Prediction of Sites of Metabolism

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

Journal:

Year:

2017

Language:

english

File:

PDF, 2.63 MB

english, 2017

38

MetaTox - Web Application for Generation of Metabolic Pathways and Toxicity Estimation

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

Journal:

Journal of Bioinformatics and Computational Biology

Year:

2018

Language:

english

File:

PDF, 712 KB

english, 2018

39

Rational Use of Heterogeneous Data in QSAR Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

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

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 579 KB

english, 2019

40

Attenuation of hyperhomocysteinemia induced vascular dementia by sodium orthovanadate perhaps via PTP1B: pertinent downstream outcomes

Kumar, Sandeep, Ivanov, Sergey, Lagunin, Alexey, Goel, Rajesh Kumar

Journal:

Behavioural Brain Research

Year:

2019

Language:

english

File:

PDF, 786 KB

english, 2019

41

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 842 KB

english, 2019

42

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

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

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 1.12 MB

english, 2019

43

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

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

Journal:

International Journal of Molecular Sciences

Year:

2019

File:

PDF, 1.12 MB

2019

44

Network-Based Analysis of OMICs Data to Understand the HIVâHost Interaction

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

Journal:

Frontiers in Microbiology

Year:

2020

File:

PDF, 1.94 MB

2020

45

Prediction of Proteinâligand Interaction Based on Sequence Similarity and Ligand Structural Features

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

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 713 KB

2020