Bioassay guided fractionation of Pistacia integerrima crude methanolic extract gave Pistacide-A (1) and Pistacide-B (2), along with ten known phytochemicals (3–12). Biochemical analysis of crude plant extract, in-vitro and in-silico carbonic anhydrase inhibitory potential of newly isolated compounds Pistacide-A (1) and Pistacide-B (2) were performed. The cytotoxicity of extract in methanol, ethylacetate and n-butanol against Artemia salina brine-shrimp was 34.98 g/ml, 160.81 g/ml, and 135.77 g/ml, respectively. The significant antimicrobial activity was exhibited by crude, ethyl acetate, and n-butanol fractions. Compounds 1 (IC₅₀ = 6.51 ± 0.42 mM) and 2 (IC₅₀ = 2.85 ± 0.09 mM) showed good carbonic anhydrase inhibition compared with standard zonisamide drug (IC₅₀ = 1.87 ± 0.003 mM). In addition, we have also clarified the electronic properties, absorption wavelengths, molecular electrostatic potential and Hirshfeld analysis by first-principles studies. The coherent intra-molecular charge transfer was seen from occupied to unoccupied molecular orbitals. The absorption wavelengths calculated at time dependent B3LYP/6-31G** level in methanol provided excellent accord with the experimental evidence. Molecular docking score revealed that Pistacide-B would be an efficient drug than its other counterpart that is rational to the experimental data.

的生物测定引导的分级分离黄连木integerrima粗甲醇提取物，得到Pistacide-A（1）和Pistacide-B（2）中，用10种已知的植物化学物质（沿3 - 12）。进行了植物粗提取物的生化分析，对新分离的化合物 Pistacide-A ( 1 ) 和 Pistacide-B ( 2 )的体外和计算机中碳酸酐酶抑制潜力进行了分析。提取物在甲醇、乙酸乙酯和n 中的细胞毒性丁醇对卤虫卤水虾的作用分别为 34.98 g/ml、160.81 g/ml 和 135.77 g/ml。粗品、乙酸乙酯和正丁醇馏分表现出显着的抗微生物活性。化合物1 (IC ₅₀  = 6.51 ± 0.42 mM) 和2 (IC ₅₀  = 2.85 ± 0.09 mM) 与标准唑尼沙胺药物 (IC ₅₀ = 1.87 ± 0.003 毫米）。此外，我们还通过第一性原理研究阐明了电子性质、吸收波长、分子静电势和Hirshfeld分析。从占据到未占据的分子轨道可以看到相干的分子内电荷转移。在甲醇中以时间相关的 B3LYP/6-31G** 水平计算的吸收波长与实验证据非常吻合。分子对接评分显示，Pistacide-B 将是一种有效的药物，而不是其他对实验数据合理的对应物。