Ahmad Imtiaz, Alotaibi Bader S, Malak Nosheen, Asad Fayaz, Ullah Barkat, Nasreen Nasreen, Khan Adil, Chen Chien-Chin
Department of Botany and Zoology, Bacha Khan University Charsadda, Charsadda 24420, Pakistan.
Department of Botany, University of Peshawar, Peshawar 25120, Pakistan.
Pharmaceuticals (Basel). 2023 Mar 25;16(4):489. doi: 10.3390/ph16040489.
Wall. is an important medicinal plant with reported therapeutic benefits. The current work sought to investigate the antidiarrheal properties of extracts both in vivo and in silico. This study applied molecular docking to unravel the molecular mechanism of and to find the most effective phytocompounds with antidiarrheal effects. The antidiarrheal activity of was assessed utilizing the castor oil-induced diarrhea assay and the charcoal meal assay. Antidiarrheal characteristics were evaluated by measuring parameters such as intestinal motility, fecal score, and hypersecretion. The extract had a dose-dependent and statistically significant impact in the charcoal meal assay and castor oil-induced diarrhea assay. In the castor oil-induced diarrhea assay, the ethyl acetate fraction (65.96%) showed the highest percentage of defecation inhibition at the highest dose (300 mg/kg (bw)), followed by the uncorrected crystalline compound (63.83%), crude alkaloids (63.83%), chloroform fraction (63.83%), and crude flavonoids (55.32%), while the aqueous fraction (40.43%) and n-Hexane fraction (42.55%) revealed the lowest antidiarrheal potential. In addition, the molecular docking investigation showed emetine, quercetin, and violanthin, isolated chemicals of , to have the highest binding affinity to the target μ and δ opioid receptors with significant inhibitory capacity. These pharmacologically active metabolites in were effective in treating diarrhea. This study lends credence to the traditional usage of in treating gastrointestinal disorders.
Wall.是一种具有报道的治疗益处的重要药用植物。当前的工作旨在研究其提取物在体内和计算机模拟中的止泻特性。本研究应用分子对接来揭示其分子机制,并寻找具有止泻作用的最有效植物化合物。通过蓖麻油诱导的腹泻试验和炭末试验评估其止泻活性。通过测量肠道蠕动、粪便评分和分泌过多等参数来评估止泻特性。该提取物在炭末试验和蓖麻油诱导的腹泻试验中具有剂量依赖性且具有统计学意义的影响。在蓖麻油诱导的腹泻试验中,乙酸乙酯部分(65.96%)在最高剂量(300毫克/千克(体重))时显示出最高的排便抑制百分比,其次是未校正的结晶化合物(63.83%)、粗生物碱(63.83%)、氯仿部分(63.83%)和粗黄酮(55.32%),而水部分(40.43%)和正己烷部分(42.55%)显示出最低的止泻潜力。此外,分子对接研究表明,从其分离出的化学物质吐根碱、槲皮素和堇菜黄素对目标μ和δ阿片受体具有最高的结合亲和力和显著的抑制能力。该植物中的这些药理活性代谢物对治疗腹泻有效。本研究证实了其在治疗胃肠道疾病方面的传统用途。