Optimization of East Java Propolis Extraction as Anti SARS-Cov-2 by Molecular Docking Study

Sofia Aulia Hidayat, A. Susilo, Khothibul Umam Al Awwaly, M. Cahyati
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Abstract

The purpose of this research is to obtain the optimum propolis extraction method using microwave extraction so as to produce anti-SARS CoV-2 compounds. The research method used was experimental with a completely randomized factorial design consisting of 2 factors namely extraction time and power level, 9 treatments and 3 replications. The extraction using microwave assisted extraction was carried out according to treatment factors, namely low power level (A1), medium (A2), high (A3) and the length of treatment time was 10 minutes (B1), 20 minutes (B2), and 30 minutes (B3). The results of statistical analysis showed that the interaction between the two had a high significant effect (p<0.01) on the alkaloid content which is ranged from 0.665 to 1.452 mg/g and had no effect on color L*a*b* and antioxidant activity which is ranged from 1.533 to 1.553. The percentage of hexadecane in East Java propolis extract was 0.280 %, octadecane was 0.775%, and pentacosane was 6.716%. The results of druglikeness analysis showed that hexadecane, octadecane and pentacosane compounds had potential as antivirals with a probability to be active value of 0.68. The binding affinity value produced by enzalutamide as a native ligand is -6.7 kcal/mol while the highest inhibitory value is octadecane and pentacosane of -5.9 kcal/mol and followed by hexadecane at -5.8 kcal/mol. The conclusion of this research is that the most optimal extraction method using microwave assisted extraction is done with a medium microwave power level for 30 minutes in terms of the alkaloid content and antioxidant activity produced. This method is able to produce extracts with good antiviral bioactive components, although the binding affinity has not been able to exceed the native ligand's ability in terms of the molecular docking approach.
东爪哇蜂胶抗SARS-Cov-2提取工艺的分子对接优化
本研究的目的是通过微波提取获得蜂胶的最佳提取方法,从而生产抗sars CoV-2化合物。采用试验研究方法,采用完全随机因子设计,包括提取时间和功率水平2个因素,9个处理,3个重复。按照低功率(A1)、中功率(A2)、高功率(A3)的处理因素进行微波辅助提取,处理时间分别为10分钟(B1)、20分钟(B2)、30分钟(B3)。统计分析结果表明,两者互作对生物碱含量(0.665 ~ 1.452 mg/g)有极显著影响(p<0.01),对颜色L*a*b*和抗氧化活性(1.533 ~ 1.553)无显著影响。东爪哇蜂胶提取物中十六烷含量为0.280%,十八烷含量为0.775%,五烷含量为6.716%。药物相似性分析结果表明,十六烷、十八烷和五烷化合物具有抗病毒潜力,其活性值概率为0.68。恩杂鲁胺作为天然配体产生的结合亲和力值为-6.7 kcal/mol,抑制值最高的是十八烷和五烷(-5.9 kcal/mol),其次是十六烷(-5.8 kcal/mol)。本研究的结论是,微波辅助提取方法在中等微波功率下提取30分钟,提取的生物碱含量和抗氧化活性最佳。这种方法能够产生具有良好抗病毒生物活性成分的提取物,尽管结合亲和力在分子对接方式上还不能超过天然配体的能力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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