Mohie El-Dien Radwa Taher, Maher Sherif A, Abdelmohsen Usama Ramadan, AboulMagd Asmaa M, Fouad Mostafa Ahmed, Kamel Mohamed Salah
Department of Pharmacognosy, Faculty of Pharmacy, Deraya University University Zone 61111 New Minia City Egypt.
Department of Biochemistry, Faculty of Pharmacy, Deraya University University Zone 61111 New Minia City Egypt.
RSC Adv. 2020 Sep 21;10(57):34788-34799. doi: 10.1039/d0ra06104b. eCollection 2020 Sep 16.
has a very potent analgesic effect, especially to a δ-opioid receptor, but its antiulcer activity has not yet been validated. Therefore, the present study was carried out to evaluate the antiulcer potential of the total methanolic extract and its derived fractions of the aerial parts of the plant using an indomethacin-induced gastric ulcer method. One new compound, grandisine H (1), and five known compounds, -methoxy benzaldehyde, methyl gallate, kaempferol, quercetin and heterophyllin A (2-6), were isolated from the ethyl acetate fraction, which was the most potent one with an ulcer index value of 5 ± 1.95 (mm) ** (* < 0.05, ** < 0.01) and a preventive index of 92.9%, following a bioassay-guided fractionation. The isolated compounds were subjected to a molecular docking study in an attempt to explain their significant antiulcer potential, and the results revealed that kaempferol and quercetin bind to the active site of the M3 receptor with a strong binding affinity strong hydrogen bonds of -6.081 kcal mol and -6.013 kcal mol, respectively. Also, quercetin and heterophyllin A showed a binding affinity with the gastric proton pump receptor and a strong hydrogen bond interaction with the amino acid active sites in the case of an H-modeled receptor. These results clarify the effectiveness and importance of the ethyl acetate fraction as a natural anti-ulcer remedy.
具有非常强的镇痛作用，尤其是对δ-阿片受体，但尚未证实其抗溃疡活性。因此，本研究采用吲哚美辛诱导的胃溃疡模型，对该植物地上部分的总甲醇提取物及其衍生部位的抗溃疡潜力进行评估。从乙酸乙酯部位分离得到1个新化合物grandisine H（1）和5个已知化合物，即对甲氧基苯甲醛、没食子酸甲酯、山柰酚、槲皮素和异叶花椒素A（2 - 6），该部位活性最强，溃疡指数值为5±1.95（mm）（*<0.05，<0.01），预防指数为92.9%，采用生物活性导向分离法。对分离得到的化合物进行分子对接研究，试图解释其显著的抗溃疡潜力，结果表明山柰酚和槲皮素分别以-6.081 kcal mol和-6.013 kcal mol的强氢键与M3受体的活性位点结合。此外，在H模型受体的情况下，槲皮素和异叶花椒素A与胃质子泵受体表现出结合亲和力，并与氨基酸活性位点有强氢键相互作用。这些结果阐明了乙酸乙酯部位作为天然抗溃疡药物的有效性和重要性。
