鼠厣的营养成分、抗氧化性和分子对接策略

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摘要

在阿育吠陀医学中,腹足纲厣壳有许多治疗用途,包括治疗癌症、胃病、肝病、心血管疾病和免疫疾病。本研究利用抗菌、细胞强化、傅立叶变换红外光谱和质谱数据来确定蓖麻苣苔厣壳浓缩物中的重要功能基团和化学成分。在 100 毫克/升的浓度下,厣提取物对枯草杆菌的抑制作用较强(125 毫米),而对金黄色葡萄球菌的抑制作用较弱(08 毫米)。在 1000 μg/mL 浓度下,厣壳提取物的生化成分、总抗氧化性、蛋白质变性、金属螯合作用、细胞全面强化作用和抗糖尿病作用分别为 85.71%、80.98%、32.03% 和 76.47%。去除厣的傅立叶变换红外光谱显示出 9 个重要基团,包括胺类、酯类和芳香混合物。从厣壳粗浓缩物的气相色谱-质谱分析中得出 11 种动态混合物。在分子对接实验中,这些生物活性馏分与 IL 23 发生了相互作用。雄甾-1-烯-3-酮、邻苯二甲酸二(2-乙基己酯)和 3-甲氧基-2,4,5-三氟苯甲酸的对接得分和目标蛋白受体相互作用最高。最高得分分别为-11.9 kcal/mol、-08.6 kcal/mol 和 -7.7 kcal/mol。这些化合物具有治疗和抗菌作用。厣提取物中的这些生物活性化合物可用于传统医学,并有可能开发出新药。
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Nutritional composition, antioxidant properties, and molecular docking strategy of muricidae operculum (Chicoreus ramosus)

The murrcidae gastropod operculum has many therapeutic uses in ayurveda, including treating cancer, gastric, hepatic, cardiovascular, and immunological disorders. Antibacterial, cell reinforcement, FTIR, and mass spectrum datas were used to identify important functional groups and chemical constituents in Chicoreus ramosus operculum concentrate. At 100 ​mg/L, the operculum extract showed stronger inhibitory movement (125 ​mm) against Bacillus subtilis and less (08 ​mm) against Staphylococcus aureus. Operculum extract's biochemical composition, total antioxidant properties, protein denaturation, metal chelation movement, all-out cell reinforcement action, and anti-diabetic action were 85.71%, 80.98%, 32.03%, and 76.47% at 1000 ​μg/mL concentration. The operculum remove FTIR showed nine significant groups, including amines, esters, and fragrant mixtures. 11 dynamic mixtures from GC–MS analysis of operculum rough concentrate. These bioactive fractions interacted with IL 23 in molecular docking experiments. Androst-1-en-3-one, Bis (2-ethylhexyl) phthalate, and 3-Methoxy-2,4,5-trifluorobenzoic acid had the highest docking scores and target protein receptor interactions. −11.9 ​kcal/mol, −08.6 ​kcal/mol and −7.7 ​kcal/mol are the maximum scores. These compounds are therapeutic and antimicrobial. These bioactive compounds in operculum extracts allow C. ramosus to be used in conventional medicine and may lead to the development of new drugs.

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