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Dehydroabietylamine, A Diterpene from Carthamus tinctorious L. Showing Antibacterial and Anthelmintic Effects with Computational Evidence.
Current Computer-Aided Drug Design ( IF 1.7 ) Pub Date : 2020-05-31 , DOI: 10.2174/1573409915666190301142811
Aditya R Sj 1, 2 , Ramesh Ck 2 , Raghavendra S 2, 3 , Paramesha M 2, 4
Affiliation  

Background: Plant-based drugs provide an outstanding contribution to modern therapeutics, and it is well known that the presence of different phytochemicals is responsible for such pharmacological effects. Carthamus tinctorius L. is one such medicinally important plant whose different solvent extracts have been reported with several pharmacological effects like antibacterial, hepatoprotective, and wound healing. The exploration of phytoconstituents from such a medicinally important plant for different pharmacological effects could produce new and effective drugs to treat human diseases.

Objective: The present study attempts to explore the antibacterial and anthelmintic properties of dehydroabietylamine, a diterpene isolated from Carthamus tinctorius L. followed by the in silico elucidation of its probable mode of action.

Methods: The minimum inhibition concentration (MIC) and minimum bactericidal concentration (MBC) of dehydroabietylamine were assessed against Staphylococcus aureus and Pseudomonas aeruginosa, using micro- broth dilution method. The anthelmintic activity of was determined to assess the time taken for paralysis and death of Pheretima Posthuma at different concentrations. Additionally, molecular docking study was conducted to understand the interaction between dehydroabietylamine with target proteins identified for both antibacterial and anthelmintic activity viz., glucosamine-6-phosphate synthase and β-Tubulin, respectively.

Results: The dehydroabietylamine showed the significant MIC for S. aureus (12.5 μg/ml) and P. aeruginosa (6.25μg/ml), respectively. The result of anthelmintics effect of dehydroabietylamine was found to be dosedependent and compared to the standard drug, albendazole.

Conclusion: The interactions of dehydroabietylamine with the two target proteins with high binding affinity indicated the probable inhibition of target proteins, which could be the cause for prominent antibacterial and antihelminthic effects.



中文翻译:

Dehydroabietylamine,一种来自Carthamus tinctorious L.的二萜,具有抗菌和驱虫作用,具有计算证据。

背景:基于植物的药物为现代疗法提供了杰出的贡献,众所周知,存在不同的植物化学物质是造成这种药理作用的原因。Carthamus tinctorius L.是一种如此重要的药用植物,据报道,其不同的溶剂提取物具有多种药理作用,例如抗菌,保肝和伤口愈合。从这种具有重要医学意义的植物中探索具有不同药理作用的植物成分可能会产生治疗人类疾病的新型有效药物。

目的:本研究试图探索脱氢松香胺的抗菌和驱虫特性,该脱氢松香胺是从Carthamus tinctorius L.分离得到的一种二萜,然后在计算机上阐明其可能的作用方式。

方法:采用微量肉汤稀释法,测定了脱氢松香胺对金黄色葡萄球菌和铜绿假单胞菌的最小抑菌浓度(MIC)和最小杀菌浓度(MBC)。测定其驱虫活性以评估不同浓度下Pheretima Posthuma麻痹和死亡所需的时间。此外,进行了分子对接研究,以了解脱氢松香胺与被确定具有抗菌和驱虫活性的目标蛋白之间的相互作用,分别是氨基葡萄糖6-磷酸合酶和β-微管蛋白。

结果:脱氢松香胺对金黄色葡萄球菌(12.5μg/ ml)和铜绿假单胞菌(6.25μg/ ml)分别显示出明显的MIC。发现脱氢松香胺的驱虫效果与剂量有关,并与标准药物阿苯达唑比较。

结论:脱氢松香胺与两种具有高结合亲和力的靶蛋白的相互作用表明靶蛋白可能被抑制,这可能是引起显着的抗菌和抗蠕虫作用的原因。

更新日期:2020-05-31
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