利用真菌对二萜刺鼠酸进行生物转化的抗菌活性及分子对接研究
Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus sp.
作者信息
Marinho Andrey Moacir do Rosario, de Oliveira Claudia Maria S C, Silva-Silva João Victor, de Jesus Samara C Anchieta, Siqueira José Edson S, de Oliveira Luana C, Auzier Jéssica Fernandes, Soares Liviane N, Pinheiro Maria Lúcia Belém, Silva Sebastião C, Medeiros Lívia S, Costa Emmanoel V, Marinho Patrícia S Barbosa
机构信息
Post-Graduation in Chemistry, Federal University of Pará, Belém 66075-110, PA, Brazil.
Post-Graduation in Chemistry, Federal University of South and Southeast of Pará, Marabá 68507-590, PA, Brazil.
出版信息
Antibiotics (Basel). 2023 Aug 18;12(8):1331. doi: 10.3390/antibiotics12081331.
Biotransformations are reactions mediated by microorganisms, such as fungi. These bioreactions have high chemo- and stereoselectivity on organic substrates and can be applied in the search for new bioactive compounds. In this study, acanthoic acid (AA) was biotransformed using the fungus sp., giving the novel compound 3β,7β-dihydroxyacanthoic acid (). Both the AA and the product were tested against Gram-positive and Gram-negative bacteria. To identify and validate possible biological targets as enzymes or proteins involved in the activity observed in vitro, we used the molecular docking method. Hydroxylation at the C-3 and C-7 positions of the biotransformation product enhanced its activity against as well as its binding affinity and interactions with superoxide dismutase 1 (SOD1; PDB ID 4A7G). Based on our results, the SOD1 enzyme was suggested to be a possible target for the antioxidant activity of product .
生物转化是由微生物（如真菌）介导的反应。这些生物反应对有机底物具有高化学选择性和立体选择性，可应用于寻找新的生物活性化合物。在本研究中，使用真菌对刺酸（AA）进行生物转化，得到新型化合物3β,7β - 二羟基刺酸（）。对AA和产物均针对革兰氏阳性菌和革兰氏阴性菌进行了测试。为了鉴定和验证可能作为体外观察到的活性所涉及的酶或蛋白质的生物学靶点，我们使用了分子对接方法。生物转化产物在C - 3和C - 7位的羟基化增强了其对的活性以及与超氧化物歧化酶1（SOD1；蛋白质数据银行ID 4A7G）的结合亲和力和相互作用。基于我们的结果，SOD1酶被认为是产物抗氧化活性的一个可能靶点。
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