Rodrigues Gabriela Cristina Soares, Dos Santos Maia Mayara, de Souza Thalisson Amorim, de Oliveira Lima Edeltrudes, Dos Santos Luiz Eduardo Carneiro Gomes, Silva Shellygton Lima, da Silva Marcelo Sobral, Filho José Maria Barbosa, da Silva Rodrigues Junior Valnês, Scotti Luciana, Scotti Marcus Tullius
Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa 58051-900, PB, Brazil.
Multi-User Characterization and Analysis Laboratory, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa 58051-900, PB, Brazil.
Pathogens. 2023 Mar 13;12(3):449. doi: 10.3390/pathogens12030449.
Natural products have important pharmacological activities. This study sought to investigate the activity of the compound betulinic acid (BA) against different strains of bacteria and fungi. The minimum inhibitory concentration (MIC) was determined and then the minimum bactericidal concentration (MBC) and minimum fungicidal concentration (MFC). After performing the in vitro tests, molecular modeling studies were carried out to investigate the mechanism of action of BA against the selected microorganisms. The results showed that BA inhibited the growth of microbial species. Among the 12 species (, , , , , , , , , , , and investigated, 9 (75%) inhibited growth at a concentration of 561 µM and 1 at a concentration of 100 µM. In general, the MBC and MFC of the products were between 561 and 1122 μM. In silico studies showed that BA presented a mechanism of action against DNA gyrase and beta-lactamase targets for most of the bacteria investigated, while for fungi the mechanism of action was against sterol 14α-demethylase (CYP51) targets and dihydrofolate reductase (DHFR). We suggest that BA has antimicrobial activity against several species.
天然产物具有重要的药理活性。本研究旨在探究化合物桦木酸（BA）对不同菌株的细菌和真菌的活性。测定了最低抑菌浓度（MIC），然后测定了最低杀菌浓度（MBC）和最低杀真菌浓度（MFC）。在进行体外试验后，开展了分子模拟研究以探究BA对所选微生物的作用机制。结果表明，BA抑制了微生物物种的生长。在所研究的12个物种（此处原文未列出具体物种名称）中，9个（75%）在浓度为561μM时生长受到抑制，1个在浓度为100μM时生长受到抑制。总体而言，产物的MBC和MFC在561至1122μM之间。计算机模拟研究表明，对于大多数所研究的细菌，BA呈现出针对DNA促旋酶和β-内酰胺酶靶点的作用机制，而对于真菌，其作用机制是针对甾醇14α-脱甲基酶（CYP51）靶点和二氢叶酸还原酶（DHFR）。我们认为BA对多种物种具有抗菌活性。
