Laboratorio de Microbiología Ambiental y Suelos, Grupo de Biotecnología Ambiental e Industria (GBAI), Departamento de Microbiología, Facultad de Ciencias, Pontificia Universidad Javeriana, Carrera 7ma No 43-82, Edifício 50 Lab. 106, Bogotá, 110-23, DC, Colombia.
Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad de Caldas, Manizales-Caldas, Colombia.
Appl Biochem Biotechnol. 2018 Mar;184(3):794-805. doi: 10.1007/s12010-017-2560-y. Epub 2017 Sep 2.
Laccases catalyze the oxidation of various aromatic organic compounds concomitantly with molecular oxygen reduction to water. Triphenylmethane dyes are synthetic compounds widely used in diverse industries. Their removal from effluents is difficult, due to their high degree of structural complexity; hence, their high concentration in effluents cause a negative impact on the environment. In the present work, molecular docking was used to evaluate interactions between rGlLCC1 or rPOXA 1B enzymes with Crystal Violet (CV) or Malachite Green (MG) dyes. In addition, removal tests of the two dyes were performed. Van der Waals interactions were obtained for only the CV dye for both GlLCC1 and POXA 1B enzymes. Nevertheless, in the GlLCC1 model, two π-π interactions were observed. For the MG dye only, Van der Waals interactions were obtained. Moreover, amino acid composition interacting in each model with each dye was similar. It is important to highlight that by molecular docking, none of the estimated ligand configurations generated hydrogen bonds. Thus, explaining the difficulty to degrade CV and MG. Regarding CV, maximum decolorization percentage was 23.6 ± 1.0% using Ganoderma lucidum supernatant and 5.0 ± 0.5% with Pleurotus ostreatus supernatant. When using recombinant laccase enzyme concentrates, decolorization percentages were 9.9 ± 0.1 and 7.5 ± 1.0% for rGlLCC1 and rPOXA 1B, respectively. On the other hand, for the MG dye, maximum decolorization percentages were 52.1 ± 5.1 and 2.3 ± 0.2% using G. lucidum and P. ostreatus concentrates, respectively. Whereas with recombinant laccase enzymatic concentrates, values of 9.4 ± 0.8% were obtained, with rGlLCC1, and 2.1 ± 0.1% when using rPOXA 1B. These findings represent an important step in bioremediation processes improvement and efficiency of industry-generated products, using environmentally friendly alternatives.
漆酶催化各种芳香族有机化合物的氧化，同时伴随着氧分子还原为水。三苯甲烷染料是广泛应用于各种工业的合成化合物。由于其高度的结构复杂性，它们很难从废水中去除；因此，它们在废水中的高浓度对环境造成负面影响。在本工作中，使用分子对接评估 rGlLCC1 或 rPOXA 1B 酶与结晶紫（CV）或孔雀石绿（MG）染料之间的相互作用。此外，还进行了两种染料的去除测试。对于 CV 染料，GlLCC1 和 POXA 1B 两种酶都只得到了范德华相互作用。然而，在 GlLCC1 模型中，观察到两个 π-π 相互作用。对于 MG 染料，仅得到了范德华相互作用。此外，与每种染料相互作用的氨基酸组成在每个模型中是相似的。值得强调的是，通过分子对接，估计的配体构象都没有生成氢键。因此，这解释了 CV 和 MG 难以降解的原因。对于 CV，使用灵芝上清液的最大脱色率为 23.6±1.0%，使用糙皮侧耳上清液的最大脱色率为 5.0±0.5%。使用重组漆酶酶浓缩物时，rGlLCC1 和 rPOXA 1B 的脱色率分别为 9.9±0.1%和 7.5±1.0%。另一方面，对于 MG 染料，使用灵芝和糙皮侧耳浓缩物的最大脱色率分别为 52.1±5.1%和 2.3±0.2%。而使用重组漆酶酶浓缩物时，rGlLCC1 的值为 9.4±0.8%，rPOXA 1B 的值为 2.1±0.1%。这些发现代表了使用环保替代品改进生物修复过程和提高工业产品效率的重要一步。
