Utilize este identificador para referenciar este registo:
|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.
Ferreira, Isabel C. F. R.
|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.|
|Aparece nas colecções:||CBQF - Artigos em revistas internacionais com Arbitragem / Papers in international journals with Peer-review|
Ficheiros deste registo:
|Docking studies in target proteins involved in antibacterial action mechanisms.pdf||380,84 kB||Adobe PDF||Ver/Abrir|
Todos os registos no repositório estão protegidos por leis de copyright, com todos os direitos reservados.