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Электронный научный архив УрФУ
Просмотр коллекции по группе - По тематике MOLECULAR DOCKING
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Дата публикации
Название
Авторы
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.
2023
Natural Products from Marine Actinomycete Genus Salinispora Might Inhibit 3CLpro and PLpro Proteins of SARS-CoV-2: An In Silico Evidence
Pokharkar, O.
;
Zyryanov, G. V.
;
Tsurkan, M. V.
2023
Natural Products from Red Algal Genus Laurencia as Potential Inhibitors of RdRp and nsp15 Enzymes of SARS-CoV-2: An In Silico Perspective
Pokharkar, O.
;
Anumolu, H.
;
Zyryanov, G. V.
;
Tsurkan, M. V.
2023
A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins
Krysantieva, A. I.
;
Voronina, J. K.
;
Safin, D. A.
2023
A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins
Omar, R. A.
;
Koparir, P.
;
Sarac, K.
;
Koparir, M.
;
Safin, D. A.
2020
Novel pyranopyrazole derivatives comprising a benzoxazole core as antimicrobial inhibitors: Design, synthesis, microbial resistance and machine aided results
Reddy, G. M.
;
Kumari, A. K.
;
Reddy, V. H.
;
Garcia, J. R.
2018
On a Generalized Levinthal's Paradox: The Role of Long- and Short Range Interactions in Complex Bio-molecular Reactions, Including Protein and DNA Folding
Melkikh, A. V.
;
Meijer, D. K. F.
2023
Powerful Potential of Polyfluoroalkyl-Containing 4-Arylhydrazinylidenepyrazol-3-ones for Pharmaceuticals
Burgart, Y. V.
;
Elkina, N. A.
;
Shchegolkov, E. V.
;
Krasnykh, O. P.
;
Makhaeva, G. F.
;
Triandafilova, G. A.
;
Solodnikov, S. Y.
;
Boltneva, N. P.
;
Rudakova, E. V.
;
Kovaleva, N. V.
;
Serebryakova, O. G.
;
Ulitko, M. V.
;
Borisevich, S. S.
;
Gerasimova, N. A.
;
Evstigneeva, N. P.
;
Kozlov, S. A.
;
Korolkova, Y. V.
;
Minin, A. S.
;
Belousova, A. V.
;
Mozhaitsev, E. S.
;
Klabukov, A. M.
;
Saloutin, V. I.
2023
Resistance to Resveratrol Treatment in Experimental PTSD Is Associated with Abnormalities in Hepatic Metabolism of Glucocorticoids
Tseilikman, V. E.
;
Fedotova, J. O.
;
Tseilikman, O. B.
;
Novak, J.
;
Karpenko, M. N.
;
Maistrenko, V. A.
;
Lazuko, S. S.
;
Belyeva, L. E.
;
Kamel, M.
;
Buhler, A. V.
;
Kovaleva, E. G.
2020
Structure-based virtual screening of pseudomonas aeruginosa lpxa inhibitors using pharmacophore-based approach
Bhaskar, B. V.
;
Babu, T. M. C.
;
Rammohan, A.
;
Zheng, G. Y.
;
Zyryanov, G. V.
;
Gu, W.
;
Зырянов, Г. В.
2023
Study of the Molecular Architectures of 2-(4-Chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1,2,3-triazole-4-carboxylic Acid Using Their Vibrational Spectra, Quantum Chemical Calculations and Molecular Docking with MMP-2 Receptor
Palafox, M. A.
;
Belskaya, N. P.
;
Kostova, I. P.
дек-2022
Substituted benzocoumarin derivatives: synthesis, characterization, biological activities and molecular docking with ADME studies
Megha G. V.
;
Bodke, Yadav D.
;
Shanavaz, H.
;
Muthipeedika, Nibin Joy
2020
Synthesis of novel cytotoxic tetracyclic acridone derivatives and study of their molecular docking, ADMET, QSAR, bioactivity and protein binding properties
Veligeti, R.
;
Madhu, R. B.
;
Anireddy, J.
;
Pasupuleti, V. R.
;
Avula, V. K. R.
;
Ethiraj, K. S.
;
Uppalanchi, S.
;
Kasturi, S.
;
Perumal, Y.
;
Anantaraju, H. S.
;
Polkam, N.
;
Guda, M. R.
;
Vallela, S.
;
Zyryanov, G. V.
;
Зырянов, Г. В.
июл-2022
Synthesis, in Vitro and Docking Studies of 2-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4(3H)-one Derivatives as Agents for the treatment of Alzheimer's Disease
Chiriapkin, A. S.
;
Kodonidi, I. P.
;
Pozdnyakov, D. I.
;
Glushko, A. A.
2021
Unsymmetrical Trifluoromethyl Methoxyphenyl β-Diketones: Effect of the Position of Methoxy Group and Coordination at Cu(II) on Biological Activity
Khamidullina, L. A.
;
Puzyrev, I. S.
;
Burygin, G. L.
;
Dorovatovskii, P. V.
;
Zubavichus, Y. V.
;
Mitrofanova, A. V.
;
Khrustalev, V. N.
;
Timofeeva, T. V.
;
Slepukhin, P. A.
;
Tobysheva, P. D.
;
Pestov, A. V.
;
Solari, E.
;
Tskhovrebov, A. G.
;
Nenajdenko, V. G.
2021
α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal Structures, Hirshfeld Surface Analysis, Computational Studies and in Silico Molecular Docking with the SARS-CoV-2 Proteins
Alkhimova, L. E.
;
Babashkina, M. G.
;
Safin, D. A.