The presence of pesticides in aquatic environments has threatened marine food resources, aquaculture, fisheries and human health; therefore, two most used insecticides were removed during this study. Two photobioreactors, including biochar and Chlorella vulgaris/activated sludge (reactor 1), and Chlorella vulgaris/activated sludge (reactor 2) were run to remove chlorpyrifos (CPF) and cypermethrin (CYP). Proteobacteria, Bacteroidetes and Chloroflexi were the dominant phyla of activated sludge. The optimization performance of both reactors was conducted by response surface methods. The performance of first photobioreactor was better than that in the second reactor, achieving abatement of 88.80% CPF and 93.12% CYP, at 69.7 h contact time and 0.32 mg/L initial concentration. The toxicity of CPF and CYP to Chlorella vulgaris was monitored under 0–4 mg/L of insecticide concentrations and 0–72 h contact time. The minimum chlorophyll content (2 mg/L) and protein (16.7%), and maximum growth inhibition (89.7%) were recorded at 4 mg/L insecticides concentration and 72 h contact time. Moreover, molecular docking simulation for catalytic enzyme degradation of Proteobacteria, Bacteroidetes and microalgae was carried out using individual hydrolase enzymes: carboxypeptidase in microalgae, isochorismatase hydrolase in Proteobacteria and alpha-L-arabinofuranosidase in Bacteroidetes. Ligand-binding energy, affinity and dimensions of ligands-binding sites in the enzyme cavity were calculated in each case. Hydrolase is an enzyme group that offers a promising practical application for the degradation of CYP and CPF due to its cavity features. This analysis demonstrated the mode of interaction of ligands with hydrolase enzymes in different species.

水生环境中农药的存在威胁着海洋食物资源、水产养殖、渔业和人类健康；因此，在本研究中去除了两种最常用的杀虫剂。运行两个光生物反应器，包括生物炭和小球藻/活性污泥（反应器 1）和普通小球藻/活性污泥（反应器 2），以去除毒死蜱（CPF）和氯氰菊酯（CYP）。变形菌、拟杆菌和绿屈曲菌是活性污泥的优势门。两种反应器的优化性能都是通过响应面方法进行的。第一个光生物反应器的性能优于第二个反应器，在 69.7 小时的接触时间和 0.32 毫克/升的初始浓度下，实现了 88.80% CPF 和 93.12% CYP 的减排。CPF 和 CYP 对普通小球藻的毒性在 0-4 mg/L 杀虫剂浓度和 0-72 小时接触时间下进行监测。最低叶绿素含量 (2 mg/L) 和蛋白质 (16.7%) 以及最大生长抑制 (89.7%) 在 4 mg/L 杀虫剂浓度和 72 小时接触时间记录。此外，Proteobacteria , Bacteroidetes催化酶降解的分子对接模拟和微藻使用单独的水解酶进行：微藻中的羧肽酶、变形菌中的异分枝杆菌水解酶和拟杆菌中的α- L-阿拉伯呋喃糖苷酶。在每种情况下都计算了酶腔中配体结合位点的配体结合能、亲和力和尺寸。水解酶是一种酶组，由于其空腔特征，为 CYP 和 CPF 的降解提供了有前景的实际应用。该分析证明了配体与不同物种中水解酶的相互作用模式。