Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.14/17566
Título: Docking studies in target proteins involved in antibacterial action mechanisms: Extending the knowledge on standard antibiotics to antimicrobial mushroom compounds
Autor: Alves, Maria José
Froufe, Hugo J. C.
Costa, Ana F. T.
Santos, Anabela F.
Oliveira, Liliana G.
Osório, Sara R. M.
Abreu, Rui M. V.
Pintado, Manuela
Ferreira, Isabel C. F. R.
Palavras-chave: Mushrooms
Antimicrobial compounds
Antibiotics
Target proteins
Docking studies
Data: 2014
Citação: ALVES, Maria José …[et al.] - Docking studies in target proteins involved in antibacterial action mechanisms: Extending the knowledge on standard antibiotics to antimicrobial mushroom compounds. Molecules. ISSN 1420-3049. Vol. 19, N.º 2 (2014), p. 1672-1684
Resumo: In the present work, the knowledge on target proteins of standard antibiotics was extended to antimicrobial mushroom compounds. Docking studies were performed for 34 compounds in order to evaluate their affinity to bacterial proteins that are known targets for some antibiotics with different mechanism of action: inhibitors of cell wall synthesis, inhibitors of protein synthesis, inhibitors of nucleic acids synthesis and antimetabolites. After validation of the molecular docking approach, virtual screening of all the compounds was performed against penicillin binding protein 1a (PBP1a), alanine racemase (Alr), D-alanyl-D-alanine synthetase (Ddl), isoleucyl-tRNA sinthetase (IARS), DNA gyrase subunit B, topoisomerase IV (TopoIV), dihydropteroate synthetase (DHPS) and dihydrofolate reductase (DHFR) using AutoDock4. Overall, it seems that for the selected mushroom compounds (namely, enokipodins, ganomycins and austrocortiluteins) the main mechanism of the action is the inhibition of cell wall synthesis, being Alr and Ddl probable protein targets.
Peer review: yes
URI: http://hdl.handle.net/10400.14/17566
Aparece nas colecções:CBQF - Artigos em revistas internacionais com Arbitragem / Papers in international journals with Peer-review

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