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Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)
2022Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulationsSingh, R.; Bhardwaj, V. K.; Das, P.; Bhattacherjee, D.; Zyryanov, G. V.; Purohit, R.
2022Computational Analysis of MolnupiravirSharov, A. V.; Burkhanova, T. M.; Tok, T. T.; Babashkina, M. G.; Safin, D. A.
2018Design, synthesis and fungicidal activity of isothiazole-thiazole derivativesWu, 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.
2020Efficient synthesis of imino-1,3-thiazinan-4-one promoted by acetonitrile electrogenerated base and computational stadies with CB1 and 11 βHSD1 moleculesSbei, N.; Titov, A. A.; Voskressensky, L. G.
2020Hunig'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 inhibitorsLachhi, Reddy, V.; Avula, V. K. R.; Zyryanov, G. V.; Vallela, S.; Anireddy, J. S.; Pasupuleti, V. R.; Chamarthi, N. R.; Зырянов, Г. В.
2022In 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 HematopoiesisShinwari, K.; Bolkov, M. A.; Yasir Akbar, M.; Guojun, L.; Deryabina, S. S.; Tuzankina, I. A.; Chereshnev, V. A.
2022In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated MucormycosisPokharkar, O.; Lakshmanan, H.; Zyryanov, G.; Tsurkan, M.
2022Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteinsBurkhanova, T. M.; Babashkina, M. G.; Taskin-Tok, T.; Sharov, A. V.; Safin, D. A.
2020Novel pyranopyrazole derivatives comprising a benzoxazole core as antimicrobial inhibitors: Design, synthesis, microbial resistance and machine aided resultsReddy, G. M.; Kumari, A. K.; Reddy, V. H.; Garcia, J. R.
2018On a Generalized Levinthal's Paradox: The Role of Long- and Short Range Interactions in Complex Bio-molecular Reactions, Including Protein and DNA FoldingMelkikh, A. V.; Meijer, D. K. F.
2020Structure-based virtual screening of pseudomonas aeruginosa lpxa inhibitors using pharmacophore-based approachBhaskar, B. V.; Babu, T. M. C.; Rammohan, A.; Zheng, G. Y.; Zyryanov, G. V.; Gu, W.; Зырянов, Г. В.
2020Synthesis of novel cytotoxic tetracyclic acridone derivatives and study of their molecular docking, ADMET, QSAR, bioactivity and protein binding propertiesVeligeti, 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.
2022Synthesis, 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 DiseaseChiriapkin, A. S.; Kodonidi, I. P.; Pozdnyakov, D. I.; Glushko, A. A.
2021Unsymmetrical Trifluoromethyl Methoxyphenyl β-Diketones: Effect of the Position of Methoxy Group and Coordination at Cu(II) on Biological ActivityKhamidullina, 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.
2021α-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 ProteinsAlkhimova, L. E.; Babashkina, M. G.; Safin, D. A.