Publications by authors named "Yan Ivanenkov"

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AlphaFold Kinase Optimizer: Enhancing Virtual Screening Performance Through Automated Refinement of AlphaFold-Based Kinase Structures.
Sergei Evteev, Yan Ivanenkov, Andrew Aiginin, Maksim Kuznetsov, Rim Shayakhmetov

Proteins· February 2026

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Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles.
Alexey Ereshchenko, Sergei Evteev, Alexander Malyshev, Denis Adjugim, Fedor Sizov, Yan Ivanenkov

J Comput Aided Mol Des· September 2025

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Skittles: GNN-Assisted Pseudo-Ligands Generation and Its Application for Binding Sites Classification and Affinity Prediction.
Sergei Evteev, Alexey Ereshchenko, Denis Adjugim, Alexey Vyacheslavov, Anna Pastukhova, Yan Ivanenkov

Proteins· July 2025

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Coculture-Based Screening Revealed Selective Cytostatic Effects of Pyrazol-Azepinoindoles.
Dmitry A Skvortsov, Irina V Zhirkina, Daria A Ipatova, Lilya A Vasilyeva, Yan A Ivanenkov

ChemMedChem· June 2025

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A novel, covalent broad-spectrum inhibitor targeting human coronavirus M.
Jing Sun, Deheng Sun, Qi Yang, Dong Wang, Jingjing Peng, Yan A Ivanenkov

Nat Commun· May 2025

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Small molecule ATM inhibitors as potential cancer therapy: a patent review (2003-present).
Yan A Ivanenkov, Alexander S Malyshev, Victor A Terentiev, Anastasia A Korzhenevskaya, Sergei A Evteev

Expert Opin Ther Pat· February 2025

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A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models.
Feng Ren, Alex Aliper, Jian Chen, Heng Zhao, Sujata Rao, Yan Ivanenkov

Nat Biotechnol· January 2025

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Discovery of Bis-imidazolecarboxamide Derivatives as Novel, Potent, and Selective TNIK Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
Vladimir Aladinskiy, Chris Kruse, Luoheng Qin, Eugene Babin, Yaya Fan, Yan Ivanenkov

J Med Chem· November 2024

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Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an study.
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, Maxim Malkov, Olga Mazaleva

Front Chem· April 2024

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Resistance profiles for the investigational neuraminidase inhibitor AV5080 in influenza A and B viruses.
Andrei A Ivashchenko, Jeremy C Jones, Dmitry O Shkil, Yan A Ivanenkov, Philippe Noriel Q Pascua

Antiviral Res· September 2023

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The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.
Yan Ivanenkov, Bogdan Zagribelnyy, Alex Malyshev, Sergei Evteev, Victor Terentiev

ACS Med Chem Lett· July 2023

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Nybomycin inhibits both types of DNA gyrase - fluoroquinolone-sensitive and fluoroquinolone-resistant.
Dmitrii I Shiriaev, Alina A Sofronova, Ekaterina A Berdnikovich, Dmitrii A Lukianov, Ekaterina S Komarova, Yan A Ivanenkov

Antimicrob Agents Chemother· May 2023

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Chemistry42: An AI-Driven Platform for Molecular Design and Optimization.
Yan A Ivanenkov, Daniil Polykovskiy, Dmitry Bezrukov, Bogdan Zagribelnyy, Vladimir Aladinskiy

J Chem Inf Model· February 2023

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SiteRadar: Utilizing Graph Machine Learning for Precise Mapping of Protein-Ligand-Binding Sites.
Sergei A Evteev, Alexey V Ereshchenko, Yan A Ivanenkov

J Chem Inf Model· February 2023

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Synthesis and Biological Evaluation of Novel -Indolinones with Anticancer Activity.
Yan A Ivanenkov, Maxim E Kukushkin, Anastasia A Beloglazkina, Radik R Shafikov, Alexander A Barashkin

Molecules· January 2023

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Synthesis and initial in vitro evaluation of PSMA-targeting ligands with a modified aromatic moiety at the lysine ε-nitrogen atom.
Nikolai Y Zyk, Anton P Ber, Ekaterina A Nimenko, Radik R Shafikov, Sergei A Evteev, Yan A Ivanenkov

Bioorg Med Chem Lett· September 2022

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The Efficacy of Aprotinin Combinations with Selected Antiviral Drugs in Mouse Models of Influenza Pneumonia and Coronavirus Infection Caused by SARS-CoV-2.
Andrey A Ivashchenko, Bogdan A Zagribelnyy, Yan A Ivanenkov, Ilya A Ivashchenko, Ruben N Karapetian

Molecules· August 2022

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Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission.
Jeremy C Jones, Bogdan Zagribelnyy, Philippe Noriel Q Pascua, Dmitry S Bezrukov, Subrata Barman, Yan A Ivanenkov

PLoS Pathog· July 2022

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PSMA-targeted small-molecule docetaxel conjugate: Synthesis and preclinical evaluation.
Aleksei E Machulkin, Anastasia A Uspenskaya, Nikolay Y Zyk, Ekaterina A Nimenko, Anton P Ber, Yan A Ivanenkov

Eur J Med Chem· January 2022

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Synthesis and Biological Evaluation of S-, O- and Se-Containing Dispirooxindoles.
Maksim Kukushkin, Vladimir Novotortsev, Vadim Filatov, Yan Ivanenkov, Dmitry Skvortsov

Molecules· December 2021

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Antibacterial activity of noscapine analogs.
Yan A Ivanenkov, Kseniya Yu Filyaeva, Rustam T Matniyazov, Andrey Kh Baymiev, Alexey Kh Baymiev

Bioorg Med Chem Lett· July 2021

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Discovery of Bivalent GalNAc-Conjugated Betulin as a Potent ASGPR-Directed Agent against Hepatocellular Carcinoma.
Emil Yu Yamansarov, Elena V Lopatukhina, Sergei A Evteev, Dmitry A Skvortsov, Anton V Lopukhov, Yan A Ivanenkov

Bioconjug Chem· April 2021

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Synthesis and Biological Evaluation of PSMA Ligands with Aromatic Residues and Fluorescent Conjugates Based on Them.
Aleksei E Machulkin, Radik R Shafikov, Anastasia A Uspenskaya, Stanislav A Petrov, Anton P Ber, Yan A Ivanenkov

J Med Chem· April 2021

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New Small-Molecule Glycoconjugates of Docetaxel and GalNAc for Targeted Delivery to Hepatocellular Carcinoma.
Rostislav A Petrov, Sofiia R Mefedova, Emil Yu Yamansarov, Svetlana Yu Maklakova, Dmitrii A Grishin, Yan A Ivanenkov

Mol Pharm· January 2021

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Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors.
Andrey A Ivashchenko, Yan A Ivanenkov, Vladimir A Aladinskiy, Ruben N Karapetian, Angela G Koryakova

Bioorg Med Chem· October 2020

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