水果提取物的生化筛选与表征：一项实验与计算相结合的研究
Biochemical Screening, and Characterization of Fruit Extracts: A Combined Experimental and Computation Study.
作者信息
Shehzadi Syeda Aaliya, Ashraf Muhammad Ayaz, Shafiq Nusrat, Rida Fatima, Javed Aneela, Younas Farhan, Younus Waleed
机构信息
Sulaiman Bin Abdullah Aba Al-Khail-Centre for Interdisciplinary Research in Basic Sciences (SA-CIRBS), International Islamic University, 44000 Islamabad, Pakistan.
Synthetic and Natural Product Drug Discovery Laboratory, Department of Chemistry, Government College Women University, Faisalababd, 38000, Pakistan.
出版信息
Curr Pharm Biotechnol. 2025;26(9):1392-1416. doi: 10.2174/0113892010332012241027022502.
BACKGROUND
Several medicinal plants are identified as therapeutic agents for the world's most deadly disease cancer. A member of the "Cucurbitaceae" family of medicinal plants, has various pharmacological actions.
AIMS AND OBJECTIVES
In the present study we have focused on the phytochemical analysis, antimicrobial, anticancer and investigation of fruit extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic extracts of whole fruit, peel and pulp separately have been investigated.
METHODS
The phytochemical analysis revealed the presence of alkaloids, flavonoids, steroids, phenols, saponins and glycosides in various parts of the fruit. Some compounds have been identified using GC-MS analysis by comparing with NIST library data. The antimicrobial activity of all extracts was checked by agar well diffusion method against five different bacterial strains such as and . The zone of inhibition (ZOI) ranged between 11 mm to 27 mm against different strains.
RESULTS
The polar solvent extracts (ethanolic and aq. ethanolic extract) of peel showed good sensitivity against all bacterial strains as compared to non-polar solvent (chloroform extract), which showed activity only against and . The cytotoxic activity of all extracts against human brain cancer cell lines (U-87) was assessed using MTT assay.
CONCLUSION
The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract of whole fruit and pulp showed promising results. The cancerous cell line U-87 seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) pulp extracts than peel. Further, based on in-vitro results, compounds identified in ET-PP were screened for their potential as antibacterial and anticancer agents through molecular docking and MMGBSA studies. These studies strongly supported the in-vitro study results and identified new drug candidates.
背景
几种药用植物被确定为治疗世界上最致命疾病——癌症的药物。药用植物“葫芦科”家族的一员具有多种药理作用。
目的
在本研究中，我们专注于对苦西瓜果实提取物进行植物化学分析、抗菌、抗癌研究。分别对整个果实、果皮和果肉的氯仿、纯乙醇和乙醇水溶液提取物进行了研究。
方法
植物化学分析表明，果实的各个部分都含有生物碱、黄酮类化合物、甾体、酚类、皂苷和糖苷。通过与美国国家标准与技术研究院（NIST）库数据进行比较，利用气相色谱 - 质谱联用（GC - MS）分析鉴定了一些化合物。采用琼脂孔扩散法检测了所有提取物对五种不同细菌菌株（如……和……）的抗菌活性。不同菌株的抑菌圈（ZOI）在11毫米至27毫米之间。
结果
与非极性溶剂（氯仿提取物）相比，果皮的极性溶剂提取物（乙醇和乙醇水溶液提取物）对所有细菌菌株表现出良好的敏感性，氯仿提取物仅对……和……有活性。使用MTT法评估了所有提取物对人脑癌细胞系（U - 87）的细胞毒性活性。
结论
整个果实和果肉的乙醇提取物（ET - PL）以及乙醇水溶液提取物的细胞活力百分比显示出有前景的结果。癌细胞系U - 87似乎对极性溶剂（乙醇和乙醇水溶液）的果肉提取物比果皮提取物更敏感。此外，基于体外研究结果，通过分子对接和MMGBSA研究筛选了在ET - PP中鉴定的化合物作为抗菌和抗癌剂的潜力。这些研究有力地支持了体外研究结果，并确定了新的候选药物。
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