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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.
Jones JC, Zagribelnyy B, Pascua PNQ, Bezrukov DS, Barman S, Okda F, Webby RJ, Ivanenkov YA, Govorkova EA. Jones JC, et al. Among authors: zagribelnyy b. PLoS Pathog. 2022 Jul 13;18(7):e1010698. doi: 10.1371/journal.ppat.1010698. eCollection 2022 Jul. PLoS Pathog. 2022. PMID: 35830486 Free PMC article.
Identification of Novel Antibacterials Using Machine Learning Techniques.
Ivanenkov YA, Zhavoronkov A, Yamidanov RS, Osterman IA, Sergiev PV, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Veselov MS, Ayginin AA, Kartsev VG, Skvortsov DA, Chemeris AV, Baimiev AK, Sofronova AA, Malyshev AS, Filkov GI, Bezrukov DS, Zagribelnyy BA, Putin EO, Puchinina MM, Dontsova OA. Ivanenkov YA, et al. Among authors: zagribelnyy ba. Front Pharmacol. 2019 Aug 27;10:913. doi: 10.3389/fphar.2019.00913. eCollection 2019. Front Pharmacol. 2019. PMID: 31507413 Free PMC article.
Large-scale High-throughput Screening Revealed 5'-(carbonylamino)-2,3'- bithiophene-4'-carboxylate as Novel Template for Antibacterial Agents.
Ivanenkov YA, Yamidanov RS, Osterman IA, Sergiev PV, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Veselov MS, Ayginin AA, Skvortsov DA, Komarova KS, Zagribelnyy BA, Baimiev AK, Shvetc KY, Baimiev AK, Sofronova AA, Machulkin AE, Petrov RA, Zainullina LF, Maximova MA, Zileeva ZR, Vakhitova YV, Bezrukov DS, Puchinina MM, Dontsova OA. Ivanenkov YA, et al. Among authors: zagribelnyy ba. Curr Drug Discov Technol. 2020;17(5):716-724. doi: 10.2174/1570163816666190603095521. Curr Drug Discov Technol. 2020. PMID: 31161993
Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors.
Ivashchenko AA, Ivanenkov YA, Aladinskiy VA, Karapetian RN, Koryakova AG, Ryakhovskiy AA, Mitkin OD, Kravchenko DV, Savchuk NP, Zagribelnyy BA, Ivashchenko AV. Ivashchenko AA, et al. Among authors: zagribelnyy ba. Bioorg Med Chem. 2020 Oct 15;28(20):115716. doi: 10.1016/j.bmc.2020.115716. Epub 2020 Aug 20. Bioorg Med Chem. 2020. PMID: 33069072
The Efficacy of Aprotinin Combinations with Selected Antiviral Drugs in Mouse Models of Influenza Pneumonia and Coronavirus Infection Caused by SARS-CoV-2.
Ivashchenko AA, Zagribelnyy BA, Ivanenkov YA, Ivashchenko IA, Karapetian RN, Kravchenko DV, Savchuk NP, Yakubova EV, Ivachtchenko AV. Ivashchenko AA, et al. Among authors: zagribelnyy ba. Molecules. 2022 Aug 5;27(15):4975. doi: 10.3390/molecules27154975. Molecules. 2022. PMID: 35956925 Free PMC article.
Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Zhavoronkov A, Ivanenkov YA, Aliper A, Veselov MS, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Polykovskiy DA, Kuznetsov MD, Asadulaev A, Volkov Y, Zholus A, Shayakhmetov RR, Zhebrak A, Minaeva LI, Zagribelnyy BA, Lee LH, Soll R, Madge D, Xing L, Guo T, Aspuru-Guzik A. Zhavoronkov A, et al. Among authors: zagribelnyy ba. Nat Biotechnol. 2019 Sep;37(9):1038-1040. doi: 10.1038/s41587-019-0224-x. Epub 2019 Sep 2. Nat Biotechnol. 2019. PMID: 31477924
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.
Evteev S, Ivanenkov Y, Semenov I, Malkov M, Mazaleva O, Bodunov A, Bezrukov D, Sidorenko D, Terentiev V, Malyshev A, Zagribelnyy B, Korzhenevskaya A, Aliper A, Zhavoronkov A. Evteev S, et al. Among authors: zagribelnyy b. Front Chem. 2024 Apr 3;12:1382512. doi: 10.3389/fchem.2024.1382512. eCollection 2024. Front Chem. 2024. PMID: 38633987 Free PMC article.
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.
Ivanenkov Y, Zagribelnyy B, Malyshev A, Evteev S, Terentiev V, Kamya P, Bezrukov D, Aliper A, Ren F, Zhavoronkov A. Ivanenkov Y, et al. Among authors: zagribelnyy b. ACS Med Chem Lett. 2023 Jun 30;14(7):901-915. doi: 10.1021/acsmedchemlett.3c00041. eCollection 2023 Jul 13. ACS Med Chem Lett. 2023. PMID: 37465301 Free PMC article. Review.
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization.
Ivanenkov YA, Polykovskiy D, Bezrukov D, Zagribelnyy B, Aladinskiy V, Kamya P, Aliper A, Ren F, Zhavoronkov A. Ivanenkov YA, et al. Among authors: zagribelnyy b. J Chem Inf Model. 2023 Feb 13;63(3):695-701. doi: 10.1021/acs.jcim.2c01191. Epub 2023 Feb 2. J Chem Inf Model. 2023. PMID: 36728505 Free PMC article.