Yan A. Ivanenkov

P.A. Hertzen Moscow Oncology Research Institute — Russia

Computer Science · Physical Sciences

33h-index5.2kcitations125works2.52yr avg
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Research Topics

Computational Drug Discovery Methods(36), Synthesis and biological activity(9), Prostate Cancer Treatment and Research(9), Click Chemistry and Applications(9), Machine Learning in Materials Science(9)

Publications125 total

A mild and atom-efficient four-component cascade strategy for the construction of biologically relevant 4-hydroxyquinolin-2(1 <i>H</i> )-one derivatives
Beilstein Journal of Organic Chemistry·2026Open Access
A series of conjugates based on prostate-specific membrane antigen ligands with the chelating agent DOTA: synthesis, radiolabeling, and biological activity
European Journal of Medicinal Chemistry·2025
Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles
Journal of Computer-Aided Molecular Design·2025
<scp>AlphaFold</scp> Kinase Optimizer: Enhancing Virtual Screening Performance Through Automated Refinement of <scp>AlphaFold</scp> ‐Based Kinase Structures
Proteins Structure Function and Bioinformatics·2025
Author response for "AlphaFold Kinase Optimizer: Enhancing Virtual Screening Performance Through Automated Refinement of AlphaFold-Based Kinase Structures"
2025
A novel, covalent broad-spectrum inhibitor targeting human coronavirus Mpro
Nature Communications·2025· 14 citedOpen Access
New Kinase Inhibitors That Are Selectively Cytotoxic for Tumor Cells
Doklady Biochemistry and Biophysics·2025Open Access
Coculture‐Based Screening Revealed Selective Cytostatic Effects of Pyrazol–Azepinoindoles
ChemMedChem·2025· 1 citedOpen Access
Small molecule ATM inhibitors as potential cancer therapy: a patent review (2003–present)
Expert Opinion on Therapeutic Patents·2024· 1 cited
Discovery of Bis-imidazolecarboxamide Derivatives as Novel, Potent, and Selective TNIK Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis
Journal of Medicinal Chemistry·2024· 11 cited
Modeling of synthetic accessibility of potential drug molecules containing five-membered aromatic heterocycles
Russian Chemical Bulletin·2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study
Frontiers in Chemistry·2024· 2 citedOpen Access
AlphaFold for a medicinal chemist: tool or toy?
Russian Chemical Reviews·2024· 3 cited
Resistance profiles for the investigational neuraminidase inhibitor AV5080 in influenza A and B viruses
Antiviral Research·2023· 5 citedOpen Access
The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry
ACS Medicinal Chemistry Letters·2023· 38 citedOpen Access
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Journal of Chemical Information and Modeling·2023· 175 citedOpen Access
The Efficacy of Aprotinin Combinations with Selected Antiviral Drugs in Mouse Models of Influenza Pneumonia and Coronavirus Infection Caused by SARS-CoV-2
Molecules·2022· 3 citedOpen Access
Imidazole Derivative As a Novel Translation Inhibitor
Acta Naturae·2022· 7 citedOpen Access
Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission
PLoS Pathogens·2022· 19 citedOpen Access
Synthesis and initial in vitro evaluation of PSMA-targeting ligands with a modified aromatic moiety at the lysine ε-nitrogen atom
Bioorganic & Medicinal Chemistry Letters·2022· 9 citedOpen Access
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Frequent Co-authors

Alexander G. Majouga(16), Елена К. Белоглазкина(15), Vladimir Aladinskiy(13), Alex Zhavoronkov(12), Konstantin V. Balakin(11), Dmitry A. Skvortsov(11), Bogdan Zagribelnyy(10), Dmitry S. Bezrukov(10), Alex Aliper(9), Mark S. Veselov(9), Victor A. Terentiev(8), Daniil Polykovskiy(8), Nikolay Savchuk(7), Alexander Zhebrak(6), Quentin Vanhaelen(6), Sean Ekins(6), Aleksei E. Machulkin(6), N. V. Zyk(6), Anastasia V. Aladinskaya(5), Rim Shayakhmetov(5)