Phytochemical investigations of Oxalis corniculata L. shown the existence of biologically active secondary metabolites like phenols, flavanoids, alkaloids, tannins, triterpenes, sterols, and volatile oils. In this work, ethanolic extract of Oxalis corniculata L. was prepared to explore the carbonic anhydrase and cholinesterase inhibitory activities against epilepsy and anti-Alzheimer’s disease (AD) potential. Upon fractionation, chloroform and ethyl acetate fractions showed high phenolic (168.56 and 171.11 μg ascorbic acid/g extract) and flavonoid contents (115.72 and 99.35 μg (+)-catechin/g extract), respectively and were the most active ones against acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and carbonic anhydrase inhibition. The bioactivity-guided isolation from chloroform and ethyl acetate extract of Oxalis corniculata afforded nine flavonoids. The newly isolated flavonoid (1) and eight source compounds 2–9 screened by cholinesterase (AChE and BChE) and carbonic anhydrase-II (CA-II) inhibitory assays. Carbonic anhydrase inhibition rate for compounds 1–9 ranged 65.21–90.82 with the IC₅₀ 17.11–25.18, compared with reference acetazolamide. Cholinesterase (AChE and BChE) inhibitory potential (49.52 and 29.12 μg/mL) of newly isolated compound 1 whereas compounds 3, 5, 8 and 9 showed considerable significant inhibition potential using standard inhibitor serine. Moreover, the ground state geometries of all the nine compounds along with positive drugs were optimized by Density functional theory (DFT) at B3LYP/TZ2P level to explore the electronic properties and active sites. The effect of substituents on the molecular descriptors, frontier molecular orbitals, molecular electrostatic potential and Hirshfeld charges was explored.

Oxalis corniculata L.的植物化学研究表明，存在生物活性的次级代谢产物，例如酚，黄酮类，生物碱，单宁，三萜，固醇和挥发油。在这项工作中，制备了草酸Ox浆的乙醇提取物，以研究其对癫痫和抗阿尔茨海默病（AD）潜力的碳酸酐酶和胆碱酯酶的抑制活性。一旦分馏，氯仿和乙酸乙酯级分表现出较高的酚（168.56和171.11 μ克抗坏血酸/克提取物）和类黄酮含量（115.72和99.35 μg（+）-儿茶素/ g提取物），分别对乙酰胆碱酯酶（AChE），丁酰胆碱酯酶（BChE）和碳酸酐酶抑制作用最活跃。从山茱Ox的氯仿和乙酸乙酯提取物中进行生物活性指导分离，得到九种类黄酮。通过胆碱酯酶（AChE和BChE）和碳酸酐酶II（CA-II）抑制试验筛选了新分离的类黄酮（1）和八种来源化合物2-9。与参考乙酰唑胺相比，化合物1–9的碳酸酐酶抑制率范围为65.21–90.82，IC _50为17.11–25.18。胆碱酯酶（AChE的和的BChE）抑制潜力（49.52和29.12 μ克的新分离的化合物/毫升）1而化合物3，5，8和9显示出用标准的抑制剂丝氨酸相当显著抑制潜力。此外，通过密度泛函理论（DFT）在B3LYP / TZ2P水平上优化了这9种化合物以及阳性药物的基态几何结构，以探索电子性质和活性位点。探索了取代基对分子描述子，前沿分子轨道，分子静电势和Hirshfeld电荷的影响。