Kapusta K - Search Results

1

N-arylnaphthylamines as inhibitors of human immunodeficiency virus integrase - lens epithelium-derived growth factor interactions: theoretical studies.

Kapusta K, Sizochenko N, Anderson ML, Kolodziejczyk W, Voronkov EO, Saloni J, Leszczynski J, Hill GA. Kapusta K, et al. J Biomol Struct Dyn. 2021 Feb;39(3):867-880. doi: 10.1080/07391102.2020.1719203. Epub 2020 Jan 31. J Biomol Struct Dyn. 2021. PMID: 31965914

2

QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors.

Kapusta K, Sizochenko N, Karabulut S, Okovytyy S, Voronkov E, Leszczynski J. Kapusta K, et al. J Mol Model. 2018 Feb 17;24(3):59. doi: 10.1007/s00894-018-3593-z. J Mol Model. 2018. PMID: 29455382

3

Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features.

Spiegel M, Kapusta K, Kołodziejczyk W, Saloni J, Żbikowska B, Hill GA, Sroka Z. Spiegel M, et al. Among authors: kapusta k. Molecules. 2020 Jul 7;25(13):3088. doi: 10.3390/molecules25133088. Molecules. 2020. PMID: 32645868 Free PMC article.

4

Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (M^pro) through docking, molecular mechanic & dynamic, and ADMET profiling.

Kapusta K, Kar S, Collins JT, Franklin LM, Kolodziejczyk W, Leszczynski J, Hill GA. Kapusta K, et al. J Biomol Struct Dyn. 2021 Oct;39(17):6810-6827. doi: 10.1080/07391102.2020.1806930. Epub 2020 Aug 14. J Biomol Struct Dyn. 2021. PMID: 32795148 Free PMC article.

5

Computational studies on binding, solvent, and pH effects on (S)-propranolol and methacrylic acid complex.

Saloni J, Swami S, Kapusta K, Hill GA. Saloni J, et al. Among authors: kapusta k. J Mol Model. 2021 May 5;27(6):153. doi: 10.1007/s00894-021-04765-6. J Mol Model. 2021. PMID: 33950296

6

Investigation of cannabidiol's potential targets in limbic seizures. In-silico approach.

Olafuyi O, Kapusta K, Reed A, Kolodziejczyk W, Saloni J, Hill GA. Olafuyi O, et al. Among authors: kapusta k. J Biomol Struct Dyn. 2023 Sep-Oct;41(16):7744-7756. doi: 10.1080/07391102.2022.2124454. Epub 2022 Sep 21. J Biomol Struct Dyn. 2023. PMID: 36129109 Free PMC article.

7

Homology Modeling and Molecular Dynamics-Driven Search for Natural Inhibitors That Universally Target Receptor-Binding Domain of Spike Glycoprotein in SARS-CoV-2 Variants.

Ovchynnykova O, Kapusta K, Sizochenko N, Sukhyy KM, Kolodziejczyk W, Hill GA, Saloni J. Ovchynnykova O, et al. Among authors: kapusta k. Molecules. 2022 Oct 28;27(21):7336. doi: 10.3390/molecules27217336. Molecules. 2022. PMID: 36364158 Free PMC article.

8

In Silico Study on Natural Chemical Compounds from Citric Essential Oils as Potential Inhibitors of an Omicron (BA.1) SARS-CoV-2 Mutants' Spike Glycoprotein.

Ovchynnykova O, Booth JD, Cocroft TM, Sukhyy KM, Kapusta K. Ovchynnykova O, et al. Among authors: kapusta k. Curr Comput Aided Drug Des. 2024 Jan 4. doi: 10.2174/0115734099275132231213055138. Online ahead of print. Curr Comput Aided Drug Des. 2024. PMID: 38178668

9

Selective Near-Infrared Blood Detection Driven by Ionic Liquid-Dye-Albumin Nanointeractions.

Darlington DS, Mahurin AN, Kapusta K, Suh E, Smith C, Jarrett E, Chism CM, Meador WE, Kelly ZC, Delcamp JH, Zhao Y, Hammer NI, Kariyawasam CS, Somarathne RP, Fitzkee NC, Tanner EEL. Darlington DS, et al. Among authors: kapusta k. Langmuir. 2023 Aug 8;39(31):10806-10819. doi: 10.1021/acs.langmuir.3c00727. Epub 2023 Jul 27. Langmuir. 2023. PMID: 37501336

10

Distribution characteristics and migration pathways of metals during hydrothermal liquefaction of municipal sewage sludge in the presence of various catalysts.

Strugała-Wilczek A, Basa W, Pankiewicz-Sperka M, Xu D, Duan P, Hao B, Wang Y, Leng L, Yang L, Fan L, Kapusta K. Strugała-Wilczek A, et al. Among authors: kapusta k. Sci Total Environ. 2024 Apr 10;920:171023. doi: 10.1016/j.scitotenv.2024.171023. Epub 2024 Feb 15. Sci Total Environ. 2024. PMID: 38367729

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