Search Results - "Veselov, Mark"

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models by Polykovskiy, Daniil, Zhebrak, Alexander, Sanchez-Lengeling, Benjamin, Golovanov, Sergey, Tatanov, Oktai, Belyaev, Stanislav, Kurbanov, Rauf, Artamonov, Aleksey, Aladinskiy, Vladimir, Veselov, Mark, Kadurin, Artur, Johansson, Simon, Chen, Hongming, Nikolenko, Sergey, Aspuru-Guzik, Alán, Zhavoronkov, Alex

“…Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular…”
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Deep learning enables rapid identification of potent DDR1 kinase inhibitors by Zhavoronkov, Alex, Ivanenkov, Yan A., Aliper, Alex, Veselov, Mark S., Aladinskiy, Vladimir A., Aladinskaya, Anastasiya V., Terentiev, Victor A., Polykovskiy, Daniil A., Kuznetsov, Maksim D., Asadulaev, Arip, Volkov, Yury, Zholus, Artem, Shayakhmetov, Rim R., Zhebrak, Alexander, Minaeva, Lidiya I., Zagribelnyy, Bogdan A., Lee, Lennart H., Soll, Richard, Madge, David, Xing, Li, Guo, Tao, Aspuru-Guzik, Alán

“…We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic…”
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Synthesis and Biological Evaluation of S-, O- and Se-Containing Dispirooxindoles by Kukushkin, Maksim, Novotortsev, Vladimir, Filatov, Vadim, Ivanenkov, Yan, Skvortsov, Dmitry, Veselov, Mark, Shafikov, Radik, Moiseeva, Anna, Zyk, Nikolay, Majouga, Alexander, Beloglazkina, Elena

“…A series of novel S-, O- and Se-containing dispirooxindole derivatives has been synthesized using 1,3-dipolar cycloaddition reaction of azomethine ylide…”
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Identification of Novel Antibacterials Using Machine Learning Techniques by Ivanenkov, Yan A, Zhavoronkov, Alex, Yamidanov, Renat S, Osterman, Ilya A, Sergiev, Petr V, Aladinskiy, Vladimir A, Aladinskaya, Anastasia V, Terentiev, Victor A, Veselov, Mark S, Ayginin, Andrey A, Kartsev, Victor G, Skvortsov, Dmitry A, Chemeris, Alexey V, Baimiev, Alexey Kh, Sofronova, Alina A, Malyshev, Alexander S, Filkov, Gleb I, Bezrukov, Dmitry S, Zagribelnyy, Bogdan A, Putin, Evgeny O, Puchinina, Maria M, Dontsova, Olga A

“…Many pharmaceutical companies are avoiding the development of novel antibacterials due to a range of rational reasons and the high risk of failure. However,…”
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Small-molecule PSMA ligands. Current state, SAR and perspectives by Machulkin, Alexey E., Ivanenkov, Yan A., Aladinskaya, Anastasia V., Veselov, Mark S., Aladinskiy, Vladimir A., Beloglazkina, Elena K., Koteliansky, Victor E., Shakhbazyan, Artem G., Sandulenko, Yuri B., Majouga, Alexander G.

“…Prostate cancer (PC) is the prevalent malignancy widespread among men in the Western World. Prostate specific membrane antigen (PSMA) is an established PC…”
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AVN-322 is a Safe Orally Bio-Available Potent and Highly Selective Antagonist of 5-HT6R with Demonstrated Ability to Improve Impaired Memory in Animal Models by Ivachtchenko, Alexandre V, Ivanenkov, Yan A, Veselov, Mark S, Okun, I M

“…In recent years, 5-hydroxytryptamine subtype 6 receptor (5-HT6 receptor, 5- HT6R) has emerged as a promising therapeutic target for the treatment of…”
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2-Pyrazol-1-yl-thiazole derivatives as novel highly potent antibacterials by Ivanenkov, Yan A., Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Veselov, Mark S., Ayginin, Andrey A., Skvortsov, Dmitry A., Komarova, Katerina S., Sadovnikov, Sergey V., Matniyazov, Rustam, Sofronova, Alina A., Malyshev, Alexander S., Machulkin, Alexey E., Petrov, Rostislav A., Lukianov, Dmitrii, Iarovenko, Svetlana, Bezrukov, Dmitry S., Baymiev, Andrey Kh, Dontsova, Olga A.

“…The present report describes our efforts to identify new structural classes of compounds having promising antibacterial activity using previously published…”
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Design, synthesis and biological evaluation of novel potent MDM2/p53 small-molecule inhibitors by Ivanenkov, Yan A, Vasilevski, Sergei V, Beloglazkina, Elena K, Kukushkin, Maksim E, Machulkin, Alexey E, Veselov, Mark S, Chufarova, Nina V, Chernyaginab, Elizaveta S, Vanzcool, Anton S, Zyk, Nikolay V, Skvortsov, Dmitry A, Khutornenko, Anastasia A, Rusanov, Alexander L, Tonevitsky, Alexander G, Dontsova, Olga A, Majouga, Alexander G

“…Regioselective synthesis, biological evaluation and 3D-molecular modeling for a series of novel diastereomeric…”
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Synthesis, isomerization and biological activity of novel 2-selenohydantoin derivatives by Ivanenkov, Yan A., Veselov, Mark S., Rezekin, Igor G., Skvortsov, Dmitriy A., Sandulenko, Yuri B., Polyakova, Marina V., Bezrukov, Dmitry S., Vasilevsky, Sergey V., Kukushkin, Maxim E., Moiseeva, Anna A., Finko, Alexander V., Koteliansky, Victor E., Klyachko, Natalia L., Filatova, Lubov A., Beloglazkina, Elena K., Zyk, Nikolay V., Majouga, Alexander G.

“…[Display omitted] A set of novel selenohydantoins were synthesized via a convenient and versatile approach involving the reaction of isoselenocyanates with…”
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A Comprehensive Insight into the Chemical Space and ADME Features of Small Molecule NS5A Inhibitors by Ivanenkov, Yan A, Veselov, Mark S, Shakhbazyan, Artem G, Aladinskiy, Vladimir A, Aladinskaya, Anastasia V, Yartseva, Sofya M, Majouga, Alexander G, Vantskul, Anton S, Leonov, Sergey V, Ivachtchenko, Alexandre V, Koteliansky, Victor E

“…Non-structural 5A (NS5A) protein plays a crucial role in the replication of hepatitis C virus (HCV) and during the past decade has attracted increasing…”
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Design, synthesis and biological evaluation of novel 5-oxo-2-thioxoimidazolidine derivatives as potent androgen receptor antagonists by Ivachtchenko, Alexandre V., Ivanenkov, Yan A., Mitkin, Oleg D., Vorobiev, Anton A., Kuznetsova, Irina V., Shevkun, Natalia A., Koryakova, Angela G., Karapetian, Ruben N., Trifelenkov, Andrey S., Kravchenko, Dmitry V., Veselov, Mark S., Chufarova, Nina V.

“…A series of novel highly active androgen receptor (AR) antagonists containing…”
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Recent advances in the synthesis of Fe3O4@AU core/shell nanoparticles by Salihov, Sergei V., Ivanenkov, Yan A., Krechetov, Sergei P., Veselov, Mark S., Sviridenkova, Natalia V., Savchenko, Alexander G., Klyachko, Natalya L., Golovin, Yury I., Chufarova, Nina V., Beloglazkina, Elena K., Majouga, Alexander G.

“…Fe3O4@Au core/shell nanoparticles have unique magnetic and optical properties. These nanoparticles are used for biomedical applications, such as magnetic…”
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In Silico Approaches to the Design of NS5A Inhibitors by Ivanenkov, Yan A, Veselov, Mark S, Aladinskiy, Vladimir A, Shakhbazyan, Artem G, Yartseva, Sofya M, Majouga, Alexander G, Aladinskaya, Anastasia V, Vantskul, Anton S, Leonov, Sergey V, Ivachtchenko, Alexandre V, Koteliansky, Victor E

“…In recent years, nonstructural protein 5A (NS5A) has rapidly emerged as a promising therapeutic target for Hepatitis C (HCV) virus therapy. It is involved in…”
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Identification of Novel Small-Molecule ASGP-R Ligands by Majouga, Alexander G, Ivanenkov, Yan A, Veselov, Mark S, Lopuhov, Anton V, Maklakova, Svetlana V, Beloglazkina, Elena K, Binevski, Petr V, Klyachko, Natalya L, Sandulenko, Yuri B, Galkina, Natalia Y, Koteliansky, Victor E

“…During the past decade asialoglycoprotein receptor (ASGP-R) expressed predominantly by hepatocytes has attracted a considerable attention as a convenient…”
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Novel oral anti-influenza drug candidate AV5080 by Ivachtchenko, Alexandre V, Ivanenkov, Yan A, Mitkin, Oleg D, Yamanushkin, Pavel M, Bichko, Vadim V, Shevkun, Natalia A, Karapetian, Ruben N, Leneva, Irina A, Borisova, Olga V, Veselov, Mark S

“…Development of a novel drug candidate with improved potency against influenza virus neuraminidase compared with currently available therapeutics, and high…”
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Identification of pyrrolo-pyridine derivatives as novel class of antibacterials by Veselov, Mark S., Ivanenkov, Yan A., Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Ayginin, Andrey A., Skvortsov, Dmitry A., Komarova, Katerina S., Chemeris, Alexey V., Baimiev, Alexey Kh, Sofronova, Alina A., Machulkin, Alexey E., Petrov, Rostislav A., Maklakova, Svetlana Yu, Bezrukov, Dmitry S., Filkov, Gleb I., Zainullina, Liana F., Maximova, Marina A., Zileeva, Zulfiya R., Kartsev, Victor G., Vakhitova, Yulia V., Dontsova, Olga A.

“…A series of 5-oxo-4 H -pyrrolo[3,2-b]pyridine derivatives was identified as novel class of highly potent antibacterial agents during an extensive large-scale…”
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Computational insight into the chemical space of plant growth regulators by Bushkov, Nikolay A., Veselov, Mark S., Chuprov-Netochin, Roman N., Marusich, Elena I., Majouga, Alexander G., Volynchuk, Polina B., Shumilina, Daria V., Leonov, Sergey V., Ivanenkov, Yan A.

“…To overview chemical space of plant growth regulators and pesticides, Kohonen self-organizing maps was applied. Advanced modeling was supported by experimental…”
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Discovery of Novel Highly Potent Hepatitis C Virus NS5A Inhibitor (AV4025) by Ivachtchenko, Alexandre V, Mitkin, Oleg D, Yamanushkin, Pavel M, Kuznetsova, Irina V, Bulanova, Elena A, Shevkun, Natalia A, Koryakova, Angela G, Karapetian, Ruben N, Bichko, Vadim V, Trifelenkov, Andrey S, Kravchenko, Dmitry V, Vostokova, Natalia V, Veselov, Mark S, Chufarova, Nina V, Ivanenkov, Yan A

“…A series of next in class small-molecule hepatitis C virus (HCV) NS5A inhibitors with picomolar potency containing…”
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Non-dopamine receptor ligands for the treatment of Parkinson’s disease. Insight into the related chemical/property space by Ivanenkov, Yan A., Veselov, Mark S., Chufarova, Nina V., Majouga, Alexander G., Kudryavceva, Anna A., Ivachtchenko, Alexandre V.

“…Extensive biochemical and clinical studies have increasingly recognized Parkinson’s disease as a highly complex and multi-faceted neurological disorder having…”
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Novel oral anti-influenza prodrug candidate AV5075S by Ivachtchenko, Alexandre V, Ivanenkov, Yan A, Mitkin, Oleg D, Yamanushkin, Pavel M, Bichko, Vadim V, Shevkun, Natalia A, Mokrushina, Olga V, Nevolina, Olga O, Karapetian, Ruben N, Leneva, Irina A, Fedyakina, Irina T, Veselov, Mark S

“…Development of a novel drug candidate with improved activity against influenza virus neuraminidase (NA) compared with currently available therapeutics…”
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