Anti-inflammatory action of Cecropia pachystachya in the treatment of COPD and in silico study of the target enzymes of chronic respiratory diseases 5-LOX and α-1-antitrypsin

Cecropia pachystachya Tréc. is used by the ethnic population for the treatment of asthma, hypertension, inflammation, bronchodilator effect. This study aimed to identify the chemical compounds present in the ethanolic extract of the leaves of C. pachystachya and to verify its therapeutic action in the treatment of chronic pulmonary disease. The extract was prepared with 99% ethanol and the compounds were identified by HPLC. The phytochemical compounds were submitted to in silico tests of ADMET prediction and molecular docking with the target enzymes of chronic respiratory diseases (5-LOX and α-1-antitrypsin). The in vivo COPD induction test was carried out in wistar rats, exposed to cigarette smoke to induce inflammation and destruction of alveoli, being treated with ethanolic extract of C. pachystachya leaves and with a combination of beclomethasone dipropionate. By HPLC, the compounds chlorogenic acid (01), catechin (02) and coumaric acid (03) were identified. The ADMET properties were determined for each molecule, and all fall within the parameters of the rule of five and can be classified as drugs. Among the molecular docking calculations, the complexes with catechin showed better interaction energy values with the 5-LOX enzyme and α-1-antitrypsin. The ethanolic extract of C. pachystachya leaves was able to reduce lung inflammation and attenuate the destruction of lung alveoli, showing better results when used alone than when associated with beclomethasone dipropionate. It is evident that C. pachystachya has therapeutic action due to the presence of catechin. These results have scientific relevance and justify further studies to identify the mechanisms of action of this therapeutic activity.

Cecropia pachystachya Tréc. 植物被民族用于治疗哮喘、高血压、炎症以及支气管扩张。本研究旨在鉴定 C. pachystachya 叶子乙醇提取物中的化学成分，并验证其在治疗慢性肺部疾病中的治疗效果。提取物采用 99% 乙醇制备，并通过高效液相色谱法（HPLC）进行成分鉴定。植物化学成分经过计算机模拟的 ADMET 预测以及与慢性呼吸道疾病（5-LOX 和 α-1-抗胰蛋白酶）靶酶的分子对接实验。在 wistar 大鼠的体内 COPD 诱导实验中，通过香烟烟雾诱导炎症和肺泡破坏，大鼠接受 C. pachystachya 叶子乙醇提取物以及倍氯米松二丙酸酯的联合治疗。通过 HPLC 鉴定了表儿茶素（01）、儿茶素（02）和香豆酸（03）等化合物。针对每个分子确定了 ADMET 属性，所有化合物均符合“五规则”且可被归类为药物。在分子对接计算中，儿茶素与 5-LOX 酶和 α-1-抗胰蛋白酶的相互作用能值表现更佳。C. pachystachya 叶子乙醇提取物能够减轻肺炎症并减缓肺泡破坏，单独使用时效果优于与倍氯米松二丙酸酯联合使用。显然，C. pachystachya 的治疗效果归因于儿茶素的存在。这些结果具有科学意义，并证实了进一步研究该治疗活性作用机制的必要性。