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| Дата публикации | Название | Авторы |
| 2023 | Absolute Stereochemistry and Cytotoxic Effects of Vismione E from Marine Sponge-Derived Fungus Aspergillus sp. 1901NT-1.2.2 | Girich, E. V.; Trinh, P. T. H.; Nesterenko, L. E.; Popov, R. S.; Kim, N. Y.; Rasin, A. B.; Menchinskaya, E. S.; Kuzmich, A. S.; Chingizova, E. A.; Minin, A. S.; Ngoc, N. T. D.; Van, T. T. T.; Yurchenko, E. A.; Yurchenko, A. N.; Berdyshev, D. V. |
| 2023 | Antiviral Potential of Antillogorgia americana and elisabethae Natural Products against nsp16–nsp10 Complex, nsp13, and nsp14 Proteins of SARS-CoV-2: An In Silico Investigation | Pokharkar, O.; Lakshmanan, H.; Zyryanov, G. V.; Tsurkan, M. V. |
| 2022 | Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations | Singh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R. |
| 2023 | Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies | Mochulskaya, N. N.; Kotovskaya, S. K.; Butorin, I. I.; Varaksin, M. V.; Charushin, V. N.; Rusinov, V. L.; Esaulkova, Y. L.; Slita, A. V.; Ilyina, P. A.; Zarubaev, V. V. |
| 2022 | Computational Analysis of Molnupiravir | Sharov, A. V.; Burkhanova, T. M.; Tok, T. T.; Babashkina, M. G.; Safin, D. A. |
| 2023 | Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer’s Disease | Makhaeva, G. F.; Kovaleva, N. V.; Rudakova, E. V.; Boltneva, N. P.; Grishchenko, M. V.; Lushchekina, S. V.; Astakhova, T. Y.; Serebryakova, O. G.; Timokhina, E. N.; Zhilina, E. F.; Shchegolkov, E. V.; Ulitko, M. V.; Radchenko, E. V.; Palyulin, V. A.; Burgart, Y. V.; Saloutin, V. I.; Bachurin, S. O.; Richardson, R. J. |
| 2023 | Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins | Panova, E. V.; Voronina, J. K.; Safin, D. A. |
| 2023 | Cytotoxic and Infection-Controlled Investigations of Novel Dihydropyridine Hybrids: An Efficient Synthesis and Molecular-Docking Studies | Guda, M. R.; Zyryanov, G. V.; Dubey, A.; Munagapati, V. S.; Wen, J. -C. |
| 2023 | Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer’s disease | Makhaeva, G. F.; Kovaleva, N. V.; Rudakova, E. V.; Boltneva, N. P.; Lushchekina, S. V.; Astakhova, T. Y.; Timokhina, E. N.; Serebryakova, O. G.; Shchepochkin, A. V.; Averkov, M. A.; Utepova, I. A.; Demina, N. S.; Radchenko, E. V.; Palyulin, V. A.; Fisenko, V. P.; Bachurin, S. O.; Chupakhin, O. N.; Charushin, V. N.; Richardson, R. J. |
| 2018 | Design, synthesis and fungicidal activity of isothiazole-thiazole derivatives | Wu, Q. -F.; Zhao, B.; Fan, Z. -J.; Zhao, J. -B.; Guo, X. -F.; Yang, D. -Y.; Zhang, N. -L.; Yu, B.; Kalinina, T.; Glukhareva, T. |
| 2023 | DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal | Garkusha, N. A.; Anikeeva, O. P.; Bayıl, I.; Taskin-Tok, T.; Safin, D. A. |
| 2020 | Efficient synthesis of imino-1,3-thiazinan-4-one promoted by acetonitrile electrogenerated base and computational stadies with CB1 and 11 βHSD1 molecules | Sbei, N.; Titov, A. A.; Voskressensky, L. G. |
| 2020 | Hunig's base catalyzed synthesis of new 1-(2,3-dihydro-1H-inden-1-yl)-3-aryl urea/thiourea derivatives as potent antioxidants and 2HCK enzyme growth inhibitors | Lachhi, Reddy, V.; Avula, V. K. R.; Zyryanov, G. V.; Vallela, S.; Anireddy, J. S.; Pasupuleti, V. R.; Chamarthi, N. R.; Зырянов, Г. В. |
| 2023 | Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches | Rehman, H. M.; Sajjad, M.; Ali, M. A.; Gul, R.; Naveed, M.; Aslam, M. S.; Shinwari, K.; Bhinder, M. A.; Ghani, M. U.; Saleem, M.; Rather, M. A.; Ahmad, I.; Amin, A. |
| 2023 | In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins | Burkhanova, T. M.; Krysantieva, A. I.; Babashkina, M. G.; Konyaeva, I. A.; Monina, L. N.; Goncharenko, A. N.; Safin, D. A. |
| 2022 | In Silico Analysis Revealed Five Novel High-Risk Single-Nucleotide Polymorphisms (rs200384291, rs201163886, rs193141883, rs201139487, and rs201723157) in ELANE Gene Causing Autosomal Dominant Severe Congenital Neutropenia 1 and Cyclic Hematopoiesis | Shinwari, K.; Bolkov, M. A.; Yasir Akbar, M.; Guojun, L.; Deryabina, S. S.; Tuzankina, I. A.; Chereshnev, V. A. |
| 2022 | In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated Mucormycosis | Pokharkar, O.; Lakshmanan, H.; Zyryanov, G.; Tsurkan, M. |
| 2023 | Indolyl-Derived 4H-Imidazoles: PASE Synthesis, Molecular Docking and In Vitro Cytotoxicity Assay | Nikiforov, E. A.; Vaskina, N. F.; Moseev, T. D.; Varaksin, M. V.; Butorin, I. I.; Melekhin, V. V.; Tokhtueva, M. D.; Mazhukin, D. G.; Tikhonov, A. Y.; Charushin, V. N.; Chupakhin, O. N. |
| 2023 | An insight from computational approach to explore novel, high-affinity phosphodiesterase 10A inhibitors for neurological disorders | Sharma, B.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R. |
| 2022 | Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins | Burkhanova, T. M.; Babashkina, M. G.; Taskin-Tok, T.; Sharov, A. V.; Safin, D. A. |
