期刊论文详细信息
Molecules
Docking Studies in Target Proteins Involved in Antibacterial Action Mechanisms: Extending the Knowledge on Standard Antibiotics to Antimicrobial Mushroom Compounds
Maria José Alves3  Hugo J. C. Froufe3  Ana F. T. Costa2  Anabela F. Santos2  Liliana G. Oliveira2  Sara R. M. Osório2  Rui M. V. Abreu3  Manuela Pintado1 
[1] CBQF-Escola Superior de Biotecnologia — Universidade Católica Portuguesa Porto, Rua Dr. António Bernardino de Almeida, Porto 4200-072, Portugal;ESSA, Instituto Politécnico de Bragança, Campus de Santa Apolónia, Apartado 1172, Bragança 5301-855, Portugal; E-Mails:;Centro de Investigação de Montanha (CIMO), ESA, Instituto Politécnico de Bragança, Campus de Santa Apolónia, Apartado 1172, Bragança 5301-855, Portugal; E-Mails:
关键词: mushrooms;    antimicrobial compounds;    antibiotics;    target proteins;    docking studies;   
DOI  :  10.3390/molecules19021672
来源: mdpi
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【 摘 要 】

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.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.

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