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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 33, 2018 - Issue 1
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Research Paper

Target-based drug discovery through inversion of quantitative structure-drug-property relationships and molecular simulation: CA IX-sulphonamide complexes

Petar ŽuvelaDepartment of Chemistry, National University of Singapore, Singapore; ;Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Toruń, Poland; ORCID Iconhttp://orcid.org/0000-0001-6481-2241View further author information
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J. Jay LiuDepartment of Chemical Engineering, Pukyong National University, Busan, Korea; Correspondence[email protected]
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Myunggi YiDepartment of Biomedical Engineering, Pukyong National University, Busan, Korea; View further author information
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Paweł P. PomastowskiDepartment of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Toruń, Poland; View further author information
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Gulyaim SagandykovaInterdisciplinary Centre for Modern Technologies, Nicolaus Copernicus University, Toruń, Poland; View further author information
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Mariusz BelkaDepartment of Pharmaceutical Chemistry, Medical University of Gdańsk, Gdańsk, Poland; View further author information
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Jonathan DavidDepartment of Chemistry, National University of Singapore, Singapore; View further author information
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Tomasz BączekDepartment of Pharmaceutical Chemistry, Medical University of Gdańsk, Gdańsk, Poland; View further author information
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Krzysztof SzafrańskiDepartment of Organic Chemistry, Medical University of Gdańsk, Gdańsk, Poland; View further author information
,
Beata ŻołnowskaDepartment of Organic Chemistry, Medical University of Gdańsk, Gdańsk, Poland; View further author information
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Jarosław SławińskiDepartment of Organic Chemistry, Medical University of Gdańsk, Gdańsk, Poland; View further author information
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Claudiu T. SupuranDipartimento di Chimica, Universita degli Studi di Firenze, Polo Scientifico, Laboratorio di Chimica Bioinorganica, Sesto Fiorentino (Florence), Italy; ;NEUROFARBA Department, Sezione di Scienze Farmaceutiche, Università degli Studi di Firenze, Sesto Fiorentino (Florence), ItalyORCID Iconhttp://orcid.org/0000-0003-4262-0323View further author information
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Ming Wah WongDepartment of Chemistry, National University of Singapore, Singapore; View further author information
&
Bogusław BuszewskiDepartment of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Toruń, Poland; ;Interdisciplinary Centre for Modern Technologies, Nicolaus Copernicus University, Toruń, Poland; View further author information
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Pages 1430-1443 | Received 12 Jul 2018, Accepted 10 Aug 2018, Published online: 17 Sep 2018

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Giulia Rotondi, Paolo Guglielmi, Simone Carradori, Daniela Secci, Celeste De Monte, Barbara De Filippis, Cristina Maccallini, Rosa Amoroso, Roberto Cirilli, Atilla Akdemir, Andrea Angeli & Claudiu T. Supuran. (2019) Design, synthesis and biological activity of selective hCAs inhibitors based on 2-(benzylsulfinyl)benzoic acid scaffold. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1400-1413.
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Articles from other publishers (13)

A. Gołębiowski, P. Pomastowski, K. Rafińska, P. Žuvela, M.W. Wong, P. Madajski & B. Buszewski. (2022) Binding of silver ions to alpha-lactalbumin. Journal of Molecular Structure 1270, pages 133940.
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Adrian Gołębiowski, Paweł Pomastowski, Katarzyna Rafińska, Petar Zuvela, Ming Wah Wong, Oleksandra Pryshchepa, Piotr Madajski & Bogusław Buszewski. (2022) Functionalization of Alpha-Lactalbumin by Zinc Ions. ACS Omega 7:43, pages 38459-38474.
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Elia Arnese-Feffin, Pierantonio Facco, Fabrizio Bezzo & Massimiliano Barolo. (2022) Digital design of new products: accounting for output correlation via a novel algebraic formulation of the latent-variable model inversion problem. Chemometrics and Intelligent Laboratory Systems 227, pages 104610.
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Tetiana Dyrda-Terniuk, Mateusz Sugajski, Oleksandra Pryshchepa, Joanna Śliwiak, Magdalena Buszewska-Forajta, Paweł Pomastowski & Bogusław Buszewski. (2022) The Study of Protein–Cyclitol Interactions. International Journal of Molecular Sciences 23:6, pages 2940.
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Bogusław Buszewski, Paweł Pomastowski, Anna Król, Agnieszka Rogowska, Agnieszka Rodzik, Gulyaim Sagandykova & Viorica Railean-Plugaru. 2022. Handbook of Bioanalytics. Handbook of Bioanalytics 805 832 .
Bogusław Buszewski, Paweł Pomastowski, Anna Król, Agnieszka Rogowska, Agnieszka Rodzik, Gulyaim Sagandykova & Viorica Railean-Plugaru. 2020. Handbook of Bioanalytics. Handbook of Bioanalytics 1 28 .
Shirin Mollazadeh, Amirhossein Sahebkar, Mohsen Shahlaei & Sajad Moradi. (2021) Nano drug delivery systems: Molecular dynamic simulation. Journal of Molecular Liquids 332, pages 115823.
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K. Gurushankar, Hrvoje Rimac, V. Potemkin & M. Grishina. (2021) Investigation of the newly characterized baimantuoluoamide a and baimantuoluoamide b alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking and molecular dynamics simulations. Journal of Molecular Structure 1230, pages 129925.
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Bogusław Buszewski, Agnieszka Rodzik, Viorica Railean-Plugaru, Myroslav Sprynskyy & Paweł Pomastowski. (2020) A study of zinc ions immobilization by β-lactoglobulin. Colloids and Surfaces A: Physicochemical and Engineering Aspects 591, pages 124443.
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Agnieszka Rodzik, Paweł Pomastowski, Gulyaim N. Sagandykova & Bogusław Buszewski. (2020) Interactions of Whey Proteins with Metal Ions. International Journal of Molecular Sciences 21:6, pages 2156.
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Youdong Xu & Xianli Meng. (2020) Molecular Simulation Elaborating the Mechanism of 1β-Hydroxy Alantolactone Inhibiting Ubiquitin-Conjugating Enzyme UbcH5s. Scientific Reports 10:1.
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Magdalena Skoczylas, Szymon Bocian & Bogusław Buszewski. (2020) Quantitative structure – retention relationships of amino acids on the amino acid- and peptide-silica stationary phases for liquid chromatography. Journal of Chromatography A 1609, pages 460514.
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Pawel Pomastowski & Boguslaw Buszewski. (2019) Complementarity of Matrix- and Nanostructure-Assisted Laser Desorption/Ionization Approaches. Nanomaterials 9:2, pages 260.
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