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Advisor(s)
Abstract(s)
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.
Description
Keywords
Mushrooms Antimicrobial compounds Antibiotics Target proteins Docking studies
Pedagogical Context
Citation
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
Publisher
MDPI