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https://hdl.handle.net/1822/67065
Título: | α-Chymotrypsin catalyses the synthesis of methotrexate oligomers |
Autor(es): | Noro, Jennifer Martins Castro, Tarsila Gabriel Cavaco-Paulo, Artur Silva, Carla |
Palavras-chave: | a-chymotrypsin Methotrexate Dimers Oligomers |
Data: | 6-Jan-2020 |
Editora: | Elsevier 1 |
Revista: | Process Biochemistry |
Citação: | Jennifer Noro; Castro, T.; Cavaco-Paulo, Artur; Silva, Carla, -Chymotrypsin catalyses the synthesis of methotrexate oligomers. Process Biochemistry, 98, 193-201, 2020 |
Resumo(s): | The enzymatic synthesis of methotrexate (MTX) catalysed by ? -chymotrypsin was studied for the first time. The proteolytic enzyme displayed activity for the synthesis of MTX oligomers composed by 6 repeating units (DPavg?=?1.5). For longer oligomers, molecular dynamics simulations confirmed that as the oligomeric chain grows its accommodation in the enzymes active site is hindered, which is evidenced by a decrease of the binding energy associated. The full characterization of the oligomers produced was performed by nuclear magnetic resonance (NMR, 1H and 13C), matrix-assisted laser desorption/ionization-time of flight (MALDI-TOF), electrospray ionization (ESI) and differential scanning calorimetry (DSC). |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/67065 |
DOI: | 10.1016/j.procbio.2020.08.004 |
ISSN: | 1359-5113 |
e-ISSN: | 1873-3298 |
Versão da editora: | https://www.sciencedirect.com/science/article/pii/S1359511320305171 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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document_53876_1.pdf | 1,92 MB | Adobe PDF | Ver/Abrir |