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抗肺癌、抗微生物、抗α-葡萄糖苷酶、抗山梨醇脱氢酶,以及天然化合物甘草查尔酮苷和甘草素的计算机模拟研究。

Anti-lung Cancer, Anti-microbial, Anti-α-glucosidase, Anti-sorbitol Dehydrogenase, and in silico Studies of Wogonoside and Isoliquiritigenin as Natural Compounds.

机构信息

Department of Pulmonary and Critical Care Medicine, Renmin Hospital, Hubei University of Medicine.

School of Public Hygiene and Health, Xianning Medical College, Hubei University of Science and Technology.

出版信息

J Oleo Sci. 2023;72(10):919-927. doi: 10.5650/jos.ess23101.

DOI:10.5650/jos.ess23101
PMID:37793822
Abstract

Natural substances have long been used in cancer treatment, particularly in Chinese or Indian traditional medicine. Natural compounds are defined as chemical molecules that are found in fungus, marine animals, plants, or bacteria and have significant biological and pharmacological effects. Wogonoside and isoliquiritigenin are two well-known examples of plant-derived chemicals. Several modern anti-cancer medications also come from natural sources. The mic test was used to conduct tests on various natural substances' antimicrobial and antifungal properties. MTT assay was used on lung cancer, and normal (HUVEC) cell lines for analyzing of cytotoxicity and anti-lung cancer effects of Wogonoside and Isoliquiritigenin. These Wogonoside and Isoliquiritigenin had high cell death and anti-lung cancer effects against SPC-A-1, SK-LU-1, and 95D cell lines. Among the above cell lines, the best result of anti-cancer properties of Wogonoside and Isoliquiritigenin was gained in the cell line of KATO III. We examined the inhibition effects on two important enzymes using these two compounds and determined the results. PnPG and NADPH were used as substrates for enzymes. IC of Wogonoside and Isoliquiritigenin compounds were 18.25±4.18 and 112.64±16.02 nM for α-glucosidase and 54.72±8.61 and 47.12±11.56 nM for sorbitol dehydrogenase, respectively. For Wogonoside, gram-negative bacteria (K. pneumoniae and E. coli) had MIC values of 9.75±0.95 and 13.77±1.43 µg/mL, gram-positive bacteria (E. faecalis and S. aureus) of 37.02±4.52 and 24.85±3.64 µg/mL, respectively. Finally, molecular docking was done for enzyme results and anticancer results. Results of enzymes and antibacterial, antifungal were in level of micromolar that is good impacts. These natural compounds may be anti-diabetic, anticancer, antibacterial candidates for drug design.

摘要

天然物质在癌症治疗中一直被广泛应用,尤其是在中医或印度传统医学中。天然化合物被定义为存在于真菌、海洋动物、植物或细菌中的化学分子,具有显著的生物和药理作用。白杨素和甘草素是两种著名的植物来源的化学物质。一些现代抗癌药物也来自天然来源。微量测试被用于测试各种天然物质的抗菌和抗真菌特性。MTT 分析被用于肺癌和正常(HUVEC)细胞系,以分析白杨素和甘草素的细胞毒性和抗癌作用。这些白杨素和甘草素对 SPC-A-1、SK-LU-1 和 95D 细胞系具有高细胞死亡和抗癌作用。在上述细胞系中,白杨素和甘草素对 KATO III 细胞系的抗癌效果最佳。我们用这两种化合物检测了对两种重要酶的抑制作用,并确定了结果。PnPG 和 NADPH 被用作酶的底物。白杨素和甘草素化合物对 α-葡萄糖苷酶的 IC 分别为 18.25±4.18 和 112.64±16.02 nM,对山梨醇脱氢酶的 IC 分别为 54.72±8.61 和 47.12±11.56 nM。对于白杨素,革兰氏阴性菌(K. pneumoniae 和 E. coli)的 MIC 值分别为 9.75±0.95 和 13.77±1.43 µg/mL,革兰氏阳性菌(E. faecalis 和 S. aureus)的 MIC 值分别为 37.02±4.52 和 24.85±3.64 µg/mL。最后,进行了酶和抗癌结果的分子对接。酶和抗菌、抗真菌的结果处于微摩尔水平,效果良好。这些天然化合物可能是抗糖尿病、抗癌、抗菌候选药物,可用于药物设计。

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