Vladimir A. Palyulin - Publications, H-index & Citations

Vladimir A. Palyulin

Lomonosov Moscow State University

34H指数

390论文数

6.8K被引数

收录论文 48

发表时间

Peptide-based allosteric modulators of AMPA receptors: design, docking and ligand-receptor interactions 基于肽的AMPA受体别构调节剂：设计、对接及配体-受体相互作用

Medicinal Chemistry Research

IF3.1

2026-09-24

PREAI

Tatiana V. Vyunova; Liudmila A. Andreeva; Konstantin V. Shevchenko; Valeriy P. Shevchenko; Igor Y. Nagaev; Andrey A. Butylin; Mstislav I. Lavrov; Vladimir A. Palyulin; Pavel E. Musienko; Nikolay F. Myasoedov

On the importance of explicit description of inductive effect among the other effects in drug-like molecules 关于诱导效应在药物类分子其他效应中的显式描述的重要性

Theoretical Chemistry Accounts

IF1.5

2026-05-01

PREAI

Frolov, Vitaly S.; Shulga, Dmitry A.; Shaimardanov, Arslan R.; Palyulin, Vladimir A.

Structural repair of mechanical defects in the Mycobacterium tuberculosis outer membrane. A molecular dynamics study 结核分枝杆菌外膜的机械缺陷结构修复：分子动力学研究

Journal of Molecular Graphics and Modelling

IF3

2026-04-24

PREAI

Alexey V. Rozhkov; Alexander V. Vasyankin; Ekaterina A. Shirokova; Svetlana M. Loginova; Eugene V. Radchenko; Stanislav K. Ignatov; Vladimir A. Palyulin

Design of New Daunorubicin Derivatives with High Cytotoxic Potential 具有高细胞毒性潜力的新柔红霉素衍生物的设计

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

IF4.9

2025-01-31

OAAI

Kalashnikova, Aleksandra A.; Toibazarova, Altynkul B.; Artyushin, Oleg I.; Anikina, Lada V.; Globa, Anastasiya A.; Klemenkova, Zinaida S.; Andreev, Maxim V.; Radchenko, Eugene V.; Palyulin, Vladimir A.; Aleksandrova, Yulia R.; Syzdykbayev, Marat I.; Appazov, Nurbol O.; Chubarev, Vladimir N.; Neganova, Margarita E.; Brel, Valery K.

Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-04-25

PREAI

Shaimardanov, Arslan R.; Shulga, Dmitry A.; Palyulin, Vladimir A.

Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study

MOLECULES

IF4.6

2024-02-02

OAAI

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.

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

MOLECULES

IF4.6

2024-01-09

OAAI

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.

On hidden anisotropy of formally charged fragments

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2023-02-14

PREAI

Shaimardanov, Arslan R.; Shulga, Dmitry A.; Palyulin, Vladimir A.

Biscarbocyanine dye for fluorescence imaging: Binding with albumin and DNA, cell accumulation, intracellular distribution and molecular modeling

DYES AND PIGMENTS

IF4.2

2023-02-01

PREAI

Kostyukov, Alexey A.; Mestergazi, Mikhail G.; Egorov, Anton E.; Shmykova, Anna M.; Shibaeva, Anna, V; Markova, Alina A.; Podrugina, Tatyana A.; Pogonin, Vladimir I.; Radchenko, Eugene, V; Palyulin, Vladimir A.; Shtil, Alexander A.; Nekipelova, Tatiana D.; Borissevitch, Iouri E.; Kuzmin, Vladimir A.

Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane

MOLECULES

IF4.6

2023-01-31

OAAI

Savintseva, Liana A. A.; Steshin, Ilya S. S.; Avdoshin, Alexander A. A.; Panteleev, Sergey V. V.; Rozhkov, Alexey V. V.; Shirokova, Ekaterina A. A.; Livshits, Grigory D. D.; Vasyankin, Alexander V. V.; Radchenko, Eugene V. V.; Ignatov, Stanislav K. K.; Palyulin, Vladimir A. A.

Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds

MOLECULES

IF4.6

2023-01-07

OAAI

Radchenko, Eugene V. V.; Antonyan, Grigory V. V.; Ignatov, Stanislav K. K.; Palyulin, Vladimir A. A.

Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis

MOLECULES

IF4.6

2022-11-26

OAAI

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.

Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis-Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3K

MOLECULES

IF4.6

2022-11-07

OAAI

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

In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions

MOLECULES

IF4.6

2022-03-18

OAAI

Shulga, Dmitry A.; Ivanov, Nikita N.; Palyulin, Vladimir A.

Bis-Amiridines as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: N-Functionalization Determines the Multitarget Anti-Alzheimer's Activity Profile 作为乙酰胆碱酯酶和丁酰胆碱酯酶抑制剂的双氨吡啶: N官能化决定了多靶点抗阿尔茨海默氏病的活性

MOLECULES

IF4.6

2022-02-04

OAAI

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.

Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity

RSC MEDICINAL CHEMISTRY

IF3.6

2022-01-01

OAAI

Karlov, Dmitry S.; Temnyakova, Nadezhda S.; Vasilenko, Dmitry A.; Barygin, Oleg, I; Dron, Mikhail Y.; Zhigulin, Arseniy S.; Averina, Elena B.; Grishin, Yuri K.; Grigoriev, Vladimir V.; Gabrel'yan, Alexey, V; Aniol, Viktor A.; Gulyaeva, Natalia, V; Osipenko, Sergey, V; Kostyukevich, Yury, I; Palyulin, Vladimir A.; Popov, Petr A.; Fedorov, Maxim, V

A Facile Approach to Bis(isoxazoles), Promising Ligands of the AMPA Receptor

MOLECULES

IF4.6

2021-10-23

OAAI

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.

Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2021-06-01

PREAI

Makhaeva, Galina F.; Lushchekina, Sofya, V; Boltneva, Natalia P.; Serebryakova, Olga G.; Kovaleva, Nadezhda, V; Rudakova, Elena, V; Elkina, Natalia A.; Shchegolkov, Evgeny, V; Burgart, Yanina, V; Stupina, Tatyana S.; Terentiev, Alexey A.; Radchenko, Eugene, V; Palyulin, Vladimir A.; Saloutin, Victor, I; Bachurin, Sergey O.; Richardson, Rudy J.

Towards Deep Neural Network Models for the Prediction of the Blood-Brain Barrier Permeability for Diverse Organic Compounds

MOLECULES

IF4.6

2020-12-13

OAAI

Radchenko, Eugene V.; Dyabina, Alina S.; Palyulin, Vladimir A.

New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment

MOLECULES

IF4.6

2020-12-12

OAAI

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.

研究方向