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Structure-Based Virtual Screening of Glycogen Synthase Kinase 3β Inhibitors: Analysis of Scoring Functions Applied to Large True Actives and Decoy Sets.
Published in:
Chemical Biology & Drug Design, 2011, v. 78, n. 3, p. 378, doi. 10.1111/j.1747-0285.2011.01159.x
By:
- Osolodkin, Dmitry I.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolay S.
Publication type:
Article
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease.
Published in:
International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2285, doi. 10.3390/ijms24032285
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Rudakova, Elena V.;
- Boltneva, Natalia P.;
- Grishchenko, Maria V.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Y.;
- Serebryakova, Olga G.;
- Timokhina, Elena N.;
- Zhilina, Ekaterina F.;
- Shchegolkov, Evgeny V.;
- Ulitko, Mariya V.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Burgart, Yanina V.;
- Saloutin, Victor I.;
- Bachurin, Sergey O.;
- Richardson, Rudy J.
Publication type:
Article
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features.
Published in:
International Journal of Molecular Sciences, 2022, v. 23, n. 23, p. 15018, doi. 10.3390/ijms232315018
By:
- Shulga, Dmitry A.;
- Shaimardanov, Arslan R.;
- Ivanov, Nikita N.;
- Palyulin, Vladimir A.
Publication type:
Article
Computational characterization of the glutamate receptor antagonist perampanel and its close analogs: density functional exploration of conformational space and molecular docking study.
Published in:
Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4188-z
By:
- Guseynov, Abdul-Akim D.;
- Pisarev, Sergey A.;
- Shulga, Dmitry A.;
- Palyulin, Vladimir A.;
- Fedorov, Maxim V.;
- Karlov, Dmitry S.
Publication type:
Article
Decomposition of Small Molecules for Fragment-Based Drug Design.
Published in:
Biophysica, 2023, v. 3, n. 2, p. 362, doi. 10.3390/biophysica3020024
By:
- Ivanov, Nikita N.;
- Shulga, Dmitry A.;
- Palyulin, Vladimir A.
Publication type:
Article
Novel point charge models: reliable instruments formolecular electrostatic.
Published in:
Journal of Physical Organic Chemistry, 2001, v. 14, n. 6, p. 355, doi. 10.1002/poc.378
By:
- Oliferenko, Alexander A.;
- Palyulin, Vladimir A.;
- Pisarev, Sergei A.;
- Neiman, Alexei V.;
- Zefirov, Nikolai S.
Publication type:
Article
The predominance of axial conformers for trans-4-substituted cyclohexene oxides.
Published in:
Journal of Physical Organic Chemistry, 1996, v. 9, n. 10, p. 706, doi. 10.1002/(SICI)1099-1395(199610)9:10<706::AID-POC835>3.0.CO;2-2
By:
- Samoshin, Vyacheslav V.;
- Yartseva, Irina V.;
- Svyatkin, Vladimir A.;
- Zefirov, Nikolai S.;
- Palyulin, Vladimir A.;
- Zelenkina, Olga A.;
- Vereshchagina, Yana A.
Publication type:
Article
Signatures of the ATP-binding pocket as a basis for structural classification of the serine/threonine protein kinases of gram-positive bacteria.
Published in:
Proteins, 2012, v. 80, n. 5, p. 1363, doi. 10.1002/prot.24032
By:
- Zakharevich, Natalia V.;
- Osolodkin, Dmitry I.;
- Artamonova, Irena I.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolay S.;
- Danilenko, Valery N.
Publication type:
Article
Neuroprotective and Cognition-Enhancing Properties of MK-801 Flexible Analogs.
Published in:
Annals of the New York Academy of Sciences, 2001, v. 939, n. 1, p. 219, doi. 10.1111/j.1749-6632.2001.tb03629.x
By:
- BACHURIN, SERGEY;
- TKACHENKO, SERGEY;
- BASKIN, IGOR;
- LERMONTOVA, NADEGDA;
- MUKHINA, TATYANA;
- PETROVA, LYUDMILA;
- USTINOV, ANATOLIY;
- PROSHIN, ALEXEY;
- GRIGORIEV, VLADIMIR;
- LUKOYANOV, NIKOLAY;
- PALYULIN, VLADIMIR;
- ZEFIROV, NIKOLAY
Publication type:
Article
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects.
Published in:
Biomolecules (2218-273X), 2023, v. 13, n. 1, p. 56, doi. 10.3390/biom13010056
By:
- Golubeva, Elena A.;
- Lavrov, Mstislav I.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.
Publication type:
Article
New Multifunctional Agents for Potential Alzheimer's Disease Treatment Based on Tacrine Conjugates with 2-Arylhydrazinylidene-1,3-Diketones.
Published in:
Biomolecules (2218-273X), 2022, v. 12, n. 11, p. 1551, doi. 10.3390/biom12111551
By:
- Elkina, Natalia A.;
- Grishchenko, Maria V.;
- Shchegolkov, Evgeny V.;
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Rudakova, Elena V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Y.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Zhilina, Ekaterina F.;
- Perminova, Anastasiya N.;
- Lapshin, Luka S.;
- Burgart, Yanina V.;
- Saloutin, Victor I.;
- Richardson, Rudy J.
Publication type:
Article
Ensemble docking based virtual screening of SARS‐CoV‐2 main protease inhibitors.
Published in:
Molecular Informatics, 2024, v. 43, n. 8, p. 1, doi. 10.1002/minf.202300279
By:
- Fomina, Anastasia D.;
- Uvarova, Victoria I.;
- Kozlovskaya, Liubov I.;
- Palyulin, Vladimir A.;
- Osolodkin, Dmitry I.;
- Ishmukhametov, Aydar A.
Publication type:
Article
Getting to Know the Neighbours with GTM: The Case of Antiviral Compounds.
Published in:
Molecular Informatics, 2019, v. 38, n. 5, p. N.PAG, doi. 10.1002/minf.201800166
By:
- Orlov, Alexey A.;
- Khvatov, Evgeny V.;
- Koruchekov, Alexander A.;
- Nikitina, Anastasia A.;
- Zolotareva, Anastasia D.;
- Eletskaya, Anastasia A.;
- Kozlovskaya, Liubov I.;
- Palyulin, Vladimir A.;
- Horvath, Dragos;
- Osolodkin, Dmitry I.;
- Varnek, Alexandre
Publication type:
Article
Machine Learning Classification Models to Improve the Docking‐based Screening: A Case of PI3K‐Tankyrase Inhibitors.
Published in:
Molecular Informatics, 2018, v. 37, n. 11, p. N.PAG, doi. 10.1002/minf.201800030
By:
- Berishvili, Vladimir P.;
- Voronkov, Andrew E.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.
Publication type:
Article
Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic Core.
Published in:
Molecular Informatics, 2015, v. 34, n. 6/7, p. 404, doi. 10.1002/minf.201400195
By:
- Titov, Oleg I.;
- Shulga, Dmitry A.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolay S.
Publication type:
Article
Interaction of Flaviviruses with Reproduction Inhibitors Binding in β-OG Pocket: Insights from Molecular Dynamics Simulations.
Published in:
Molecular Informatics, 2014, v. 33, n. 10, p. 695, doi. 10.1002/minf.201300185
By:
- Dueva, Evgenia V.;
- Osolodkin, Dmitry I.;
- Kozlovskaya, Liubov I.;
- Palyulin, Vladimir A.;
- Pentkovski, Vladimir M.;
- Zefirov, Nikolay S.
Publication type:
Article
General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK-3 Inhibitors.
Published in:
Molecular Informatics, 2011, v. 30, n. 2/3, p. 169, doi. 10.1002/minf.201000141
By:
- Tsareva, Daria A.;
- Osolodkin, Dmitry I.;
- Shulga, Dmitry A.;
- Oliferenko, Alexander A.;
- Pisarev, Sergey A.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolay S.
Publication type:
Article
Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators.
Published in:
2013
By:
- Abdelaziz, Ahmed M.;
- Safanyaev, Alexander;
- Palyulin, Vladimir;
- Tetko, Igor V.
Publication type:
Conference Paper/Materials
Computational studies of flaviviruses: approaching to novel fusion inhibitors.
Published in:
2012
By:
- Osolodkin, Dmitry I.;
- Kozlovskaya, Liubov I.;
- Karganova, Galina G.;
- Dueva, Evgenia V.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolay S.;
- Pentkovski, Vladimir M.
Publication type:
Abstract
Ionotropic GABA receptors: modelling and design of selective ligands.
Published in:
2010
By:
- Palyulin, Vladimir A.;
- Radchenko, E. V.;
- Osolodkin, D. E.;
- Chupakhin, V. I.;
- Zefirov, N. S.
Publication type:
Abstract
Ab Initio Conformational Analysis of 3,7-Diacetyl-3,7-Diazabicyclo[3.3.1]Nonanes.
Published in:
Natural Product Communications, 2024, v. 19, n. 3, p. 1, doi. 10.1177/1934578X241239199
By:
- Pisarev, Sergey A.;
- Golubeva, Elena A.;
- Palyulin, Vladimir A.
Publication type:
Article
Enhanced taxonomy annotation of antiviral activity data from ChEMBL.
Published in:
Database: The Journal of Biological Databases & Curation, 2019, v. 2019, p. N.PAG, doi. 10.1093/database/bay139
By:
- Nikitina, Anastasia A;
- Orlov, Alexey A;
- Kozlovskaya, Liubov I;
- Palyulin, Vladimir A;
- Osolodkin, Dmitry I
Publication type:
Article
Conformational Switching of 3,7-Diacyl-3,7-diazabicyclo[3.3.1]nonanes by Metal Binding and by Solvent Changes.
Published in:
European Journal of Organic Chemistry, 1999, v. 1999, n. 12, p. 3479, doi. 10.1002/(SICI)1099-0690(199912)1999:12<3479::AID-EJOC3479>3.0.CO;2-H
By:
- Palyulin, Vladimir A.;
- Emets, Sergei V.;
- A. Chertkov, Vyacheslav;
- Kasper, Christoph;
- Schneider, Hans-Jörg
Publication type:
Article
Novel substituted 5‐methyl‐4‐acylaminoisoxazoles as antimitotic agents: Evaluation of selectivity to LNCaP cancer cells.
Published in:
Archiv der Pharmazie, 2022, v. 355, n. 5, p. 1, doi. 10.1002/ardp.202100425
By:
- Sadovnikov, Kirill S.;
- Vasilenko, Dmitry A.;
- Gracheva, Yulia A.;
- Zefirov, Nikolay A.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Grishin, Yuri K.;
- Vasilichin, Vladislav A.;
- Shtil, Alexander A.;
- Shevtsov, Pavel N.;
- Shevtsova, Elena F.;
- Kuznetsova, Tamara S.;
- Kuznetsov, Sergei A.;
- Bunev, Alexander S.;
- Zefirova, Olga N.;
- Milaeva, Elena R.;
- Averina, Elena B.
Publication type:
Article
Probing chemical space of tick‐borne encephalitis virus reproduction inhibitors with organoselenium compounds.
Published in:
Archiv der Pharmazie, 2018, v. 351, n. 6, p. 1, doi. 10.1002/ardp.201700353
By:
- Orlov, Alexey A.;
- Eletskaya, Anastasia A.;
- Frolov, Konstantin A.;
- Golinets, Anastasia D.;
- Palyulin, Vladimir A.;
- Krivokolysko, Sergey G.;
- Kozlovskaya, Liubov I.;
- Dotsenko, Victor V.;
- Osolodkin, Dmitry I.
Publication type:
Article
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
Published in:
Molecules, 2024, v. 29, n. 3, p. 696, doi. 10.3390/molecules29030696
By:
- Vasyankin, Alexander V.;
- Panteleev, Sergey V.;
- Steshin, Ilya S.;
- Shirokova, Ekaterina A.;
- Rozhkov, Alexey V.;
- Livshits, Grigory D.;
- Radchenko, Eugene V.;
- Ignatov, Stanislav K.;
- Palyulin, Vladimir A.
Publication type:
Article
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease.
Published in:
Molecules, 2024, v. 29, n. 2, p. 321, doi. 10.3390/molecules29020321
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Rudakova, Elena V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Y.;
- Timokhina, Elena N.;
- Serkov, Igor V.;
- Proshin, Alexey N.;
- Soldatova, Yuliya V.;
- Poletaeva, Darya A.;
- Faingold, Irina I.;
- Mumyatova, Viktoriya A.;
- Terentiev, Alexey A.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Bachurin, Sergey O.;
- Richardson, Rudy J.
Publication type:
Article
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane.
Published in:
Molecules, 2023, v. 28, n. 3, p. 1347, doi. 10.3390/molecules28031347
By:
- Savintseva, Liana A.;
- Steshin, Ilya S.;
- Avdoshin, Alexander A.;
- Panteleev, Sergey V.;
- Rozhkov, Alexey V.;
- Shirokova, Ekaterina A.;
- Livshits, Grigory D.;
- Vasyankin, Alexander V.;
- Radchenko, Eugene V.;
- Ignatov, Stanislav K.;
- Palyulin, Vladimir A.
Publication type:
Article
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds.
Published in:
Molecules, 2023, v. 28, n. 2, p. 633, doi. 10.3390/molecules28020633
By:
- Radchenko, Eugene V.;
- Antonyan, Grigory V.;
- Ignatov, Stanislav K.;
- Palyulin, Vladimir A.
Publication type:
Article
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis.
Published in:
Molecules, 2022, v. 27, n. 23, p. 8252, doi. 10.3390/molecules27238252
By:
- Sedenkova, Kseniya N.;
- Zverev, Denis V.;
- Nazarova, Anna A.;
- Lavrov, Mstislav I.;
- Radchenko, Eugene V.;
- Grishin, Yuri K.;
- Gabrel'yan, Alexey V.;
- Zamoyski, Vladimir L.;
- Grigoriev, Vladimir V.;
- Averina, Elena B.;
- Palyulin, Vladimir A.
Publication type:
Article
Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis -Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3K.
Published in:
Molecules, 2022, v. 27, n. 21, p. 7642, doi. 10.3390/molecules27217642
By:
- Yakkala, Prasanna A.;
- Panda, Samir R.;
- Shafi, Syed;
- Naidu, V. G. M.;
- Yar, M. Shahar;
- Ubanako, Philemon N.;
- Adeyemi, Samson A.;
- Kumar, Pradeep;
- Choonara, Yahya E.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Kamal, Ahmed
Publication type:
Article
In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions.
Published in:
Molecules, 2022, v. 27, n. 6, p. 1985, doi. 10.3390/molecules27061985
By:
- Shulga, Dmitry A.;
- Ivanov, Nikita N.;
- Palyulin, Vladimir A.
Publication type:
Article
Bis-Amiridines as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: N -Functionalization Determines the Multitarget Anti-Alzheimer's Activity Profile.
Published in:
Molecules, 2022, v. 27, n. 3, p. 1060, doi. 10.3390/molecules27031060
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Boltneva, Natalia P.;
- Rudakova, Elena V.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Yu.;
- Serkov, Igor V.;
- Proshin, Alexey N.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Korabecny, Jan;
- Soukup, Ondrej;
- Bachurin, Sergey O.;
- Richardson, Rudy J.
Publication type:
Article
Charge-changing point mutations in the E protein of tick-borne encephalitis virus.
Published in:
Archives of Virology, 2023, v. 168, n. 3, p. 1, doi. 10.1007/s00705-023-05728-3
By:
- Kozlovskaya, Liubov I.;
- Osolodkin, Dmitry I.;
- Tuchynskaya, Ksenia K.;
- Shevtsova, Anastasia S.;
- Okhezin, Egor V.;
- Palyulin, Vladimir A.;
- Nikitin, Nikolai A.;
- Karganova, Galina G.
Publication type:
Article
Do electrostatic interactions make a difference in physics‐based AutoDock4 scoring function?
Published in:
Journal of Computational Chemistry, 2024, v. 45, n. 21, p. 1806, doi. 10.1002/jcc.27373
By:
- Shaimardanov, Arslan R.;
- Shulga, Dmitry A.;
- Palyulin, Vladimir A.
Publication type:
Article
On hidden anisotropy of formally charged fragments.
Published in:
Journal of Computational Chemistry, 2023, v. 44, n. 13, p. 1312, doi. 10.1002/jcc.27083
By:
- Shaimardanov, Arslan R.;
- Shulga, Dmitry A.;
- Palyulin, Vladimir A.
Publication type:
Article
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
Published in:
Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 6, p. 533, doi. 10.1007/s10822-011-9440-2
By:
- Sushko, Iurii;
- Novotarskyi, Sergii;
- Körner, Robert;
- Pandey, Anil;
- Rupp, Matthias;
- Teetz, Wolfram;
- Brandmaier, Stefan;
- Abdelaziz, Ahmed;
- Prokopenko, Volodymyr V.;
- Tanchuk, Vsevolod Y.;
- Todeschini, Roberto;
- Varnek, Alexandre;
- Marcou, Gilles;
- Ertl, Peter;
- Potemkin, Vladimir;
- Grishina, Maria;
- Gasteiger, Johann;
- Schwab, Christof;
- Baskin, Igor I.;
- Palyulin, Vladimir A.
Publication type:
Article
Virtual computational chemistry laboratory – design and description.
Published in:
Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 6, p. 453, doi. 10.1007/s10822-005-8694-y
By:
- Tetko, Igor V.;
- Gasteiger, Johann;
- Todeschini, Roberto;
- Mauri, Andrea;
- Livingstone, David;
- Ertl, Peter;
- Palyulin, Vladimir A.;
- Radchenko, Eugene V.;
- Zefirov, Nikolay S.;
- Makarenko, Alexander S.;
- Tanchuk, Vsevolod Yu.;
- Prokopenko, Volodymyr V.
Publication type:
Article
Bis-γ-carbolines as new potential multitarget agents for Alzheimer's disease.
Published in:
Pure & Applied Chemistry, 2020, v. 92, n. 7, p. 1057, doi. 10.1515/pac-2019-1206
By:
- Makhaeva, Galina F.;
- Shevtsova, Elena F.;
- Aksinenko, Alexey Y.;
- Kovaleva, Nadezhda V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Rudakova, Еlena V.;
- Pushkareva, Elena A.;
- Serkova, Tatyana P.;
- Dubova, Lyudmila G.;
- Shevtsov, Pavel N.;
- Sokolov, Vladimir B.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Bachurin, Sergey O.;
- Richardson, Rudy J.
Publication type:
Article
Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer's disease.
Published in:
Frontiers in Pharmacology, 2023, p. 01, doi. 10.3389/fphar.2023.1219980
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Rudakova, Elena V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Yu;
- Timokhina, Elena N.;
- Serebryakova, Olga G.;
- Shchepochkin, Alexander V.;
- Averkov, Maxim A.;
- Utepova, Irina A.;
- Demina, Nadezhda S.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Fisenko, Vladimir P.;
- Bachurin, Sergey O.;
- Chupakhin, Oleg N.;
- Charushin, Valery N.;
- Richardson, Rudy J.
Publication type:
Article
Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system.
Published in:
Journal of Computational Chemistry, 2008, v. 29, n. 8, p. 1332, doi. 10.1002/jcc.20892
By:
- Yakovenko, Olexander;
- Oliferenko, Alexander A.;
- Bdzhola, Volodymyr G.;
- Palyulin, Vladimir A.;
- Zefirov, Nikolai S.
Publication type:
Article
A Facile Approach to Bis(isoxazoles), Promising Ligands of the AMPA Receptor.
Published in:
Molecules, 2021, v. 26, n. 21, p. 6411, doi. 10.3390/molecules26216411
By:
- Vasilenko, Dmitry A.;
- Sadovnikov, Kirill S.;
- Sedenkova, Kseniya N.;
- Karlov, Dmitry S.;
- Radchenko, Eugene V.;
- Grishin, Yuri K.;
- Rybakov, Victor B.;
- Kuznetsova, Tamara S.;
- Zamoyski, Vladimir L.;
- Grigoriev, Vladimir V.;
- Palyulin, Vladimir A.;
- Averina, Elena B.
Publication type:
Article
Towards Deep Neural Network Models for the Prediction of the Blood–Brain Barrier Permeability for Diverse Organic Compounds.
Published in:
Molecules, 2020, v. 25, n. 24, p. 5901, doi. 10.3390/molecules25245901
By:
- Radchenko, Eugene V.;
- Dyabina, Alina S.;
- Palyulin, Vladimir A.
Publication type:
Article
New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment.
Published in:
Molecules, 2020, v. 25, n. 24, p. 5891, doi. 10.3390/molecules25245891
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Rudakova, Elena V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Faingold, Irina I.;
- Poletaeva, Darya A.;
- Soldatova, Yuliya V.;
- Kotelnikova, Raisa A.;
- Serkov, Igor V.;
- Ustinov, Anatoly K.;
- Proshin, Alexey N.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Richardson, Rudy J.;
- Plech, Tomasz
Publication type:
Article
New Hybrids of 4-Amino-2,3-polymethylene-quinoline and p-Tolylsulfonamide as Dual Inhibitors of Acetyl- and Butyrylcholinesterase and Potential Multifunctional Agents for Alzheimer's Disease Treatment.
Published in:
Molecules, 2020, v. 25, n. 17, p. 3915, doi. 10.3390/molecules25173915
By:
- Makhaeva, Galina F.;
- Kovaleva, Nadezhda V.;
- Boltneva, Natalia P.;
- Lushchekina, Sofya V.;
- Astakhova, Tatiana Yu.;
- Rudakova, Elena V.;
- Proshin, Alexey N.;
- Serkov, Igor V.;
- Radchenko, Eugene V.;
- Palyulin, Vladimir A.;
- Bachurin, Sergey O.;
- Richardson, Rudy J.;
- Kovarik, Zrinka
Publication type:
Article
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies.
Published in:
Molecules, 2020, v. 25, n. 14, p. 3171, doi. 10.3390/molecules25143171
By:
- Berishvili, Vladimir P.;
- Kuimov, Alexander N.;
- Voronkov, Andrew E.;
- Radchenko, Eugene V.;
- Kumar, Pradeep;
- Choonara, Yahya E.;
- Pillay, Viness;
- Kamal, Ahmed;
- Palyulin, Vladimir A.;
- Geronikaki, Athina
Publication type:
Article
Comparison of pure and combined search strategies for single and multiple targets.
Published in:
European Physical Journal B: Condensed Matter, 2017, v. 90, n. 9, p. 1, doi. 10.1140/epjb/e2017-80372-4
By:
- Palyulin, Vladimir;
- Mantsevich, Vladimir;
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- Chechkin, Aleksei
Publication type:
Article
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
Published in:
International Journal of Molecular Sciences, 2024, v. 25, n. 2, p. 1006, doi. 10.3390/ijms25021006
By:
- Steshin, Ilya S.;
- Vasyankin, Alexander V.;
- Shirokova, Ekaterina A.;
- Rozhkov, Alexey V.;
- Livshits, Grigory D.;
- Panteleev, Sergey V.;
- Radchenko, Eugene V.;
- Ignatov, Stanislav K.;
- Palyulin, Vladimir A.
Publication type:
Article
5-Nitroisoxazoles in S N Ar Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors.
Published in:
International Journal of Molecular Sciences, 2023, v. 24, n. 22, p. 16135, doi. 10.3390/ijms242216135
By:
- Vasilenko, Dmitry A.;
- Temnyakova, Nadezhda S.;
- Dronov, Sevastian E.;
- Radchenko, Eugene V.;
- Grishin, Yuri K.;
- Gabrel'yan, Alexey V.;
- Zamoyski, Vladimir L.;
- Grigoriev, Vladimir V.;
- Averina, Elena B.;
- Palyulin, Vladimir A.
Publication type:
Article
New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis.
Published in:
International Journal of Molecular Sciences, 2023, v. 24, n. 12, p. 10293, doi. 10.3390/ijms241210293
By:
- Golubeva, Elena A.;
- Lavrov, Mstislav I.;
- Veremeeva, Polina N.;
- Vyunova, Tatiana V.;
- Shevchenko, Konstantin V.;
- Topchiy, Maxim A.;
- Asachenko, Andrey F.;
- Palyulin, Vladimir A.
Publication type:
Article

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