Molecular Docking Senyawa Vitexin, Ursolic Acid dan Flavonol dalam Tumbuhan Binahong (Andredera Cordifolia (Ten.) Steenis) yang Berpotensi sebagai Penghambat Pertumbuhan COVID-19

Jurnal e-Biomedik Pub Date : 2021-04-08 DOI:10.35790/ebm.v9i2.31825

Sensea R. Rambitan, A. Manampiring, Fatimawali, B. Kepel, Fona Budiarso, Widdhi Bodhi

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Abstract

Abstract: Currently, there is no specific treatment for all the COVID-19 patients the procedures that can be done are just a symptomatic and oxygen therapy, Therefore all the people around the world have try to avoid this infection by consuming the potensial plants that can boost our body immunity like Binahong. This study was an in silico experimental. The finale result is the binding affinity score from each compound, for vitexin’s binding affinity score is – 8.0 kcal/mol, ursolic acid – 7.6 kcal/mol and flavonol – 7.8 kcal/mol. The finale result of this procedure also obtained all the amino acid residues that works on the active site of receptor 6LU7 as a main protase of COVID-19, namely THR24, LEU27, HIS41, THR45, SER46, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, MET165, GLU166 and HIS172. In conclusion, the binding affinity of vitexin, ursolic acid and flavonol are higher than remdesivir. Vitexin, ursolic acid and flavonol have a several similar bonds, particularly the van der waals bond and hydrogen bond.Keywords: Molecular docking, COVID-19, binahong, flavonoid Abstrak: Saat ini belum tersedia rekomendasi tatalaksana khusus bagi pasien COVID-19, termasuk antivirus atau vaksin dan tata laksana yang dapat dilakukan adalah terapi simtomatik dan karena itulah, masyarakat dunia mencoba banyak cara agar menghindari infeksi virus ini dengan mengolah dan mengonsumsi tumbuhan yang dinilai berpotensi dalam meningkatkan imunitas tubuh seperti tumbuhan Binahong. Penelitian ini menggunakan metode penelitian in silico. Pada hasil akhir penelitian diperoleh nilai binding affinity dari ketiga senyawa yaitu senyawa vitexin - 8.0 kcal/mol, Ursolic Acid -7.6 kcal/mol dan Flavonol -7.8 kcal/mol. Diperoleh data mengenai residu asam amino yang bekerja pada sisi aktif reseptor 6LU7 sebagai main protase COVID-19 yaitu THR24, LEU27, HIS41, THR45, SER46, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, MET165, GLU166, dan HIS172. Sebagai simpulan, binding affinity dari senyawa vitexin, ursolic acid dari flavonol lebih tinggi dari nilai binding affinity remdesivir. Senyawa vitexin, ursolic acid dan flavonol memiliki beberapa jenis ikatan yang sama termasuk ikatan van der Waals dan ikatan hydrogen.Kata Kunci: Molecular docking, COVID-19, binahong, flavonoid

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摘要:目前，没有针对所有COVID-19患者的特异性治疗方法，所能做的只是对症治疗和氧气治疗，因此世界各地的人们都试图通过食用可能提高我们身体免疫力的植物来避免这种感染，比如比纳洪。这项研究是一项计算机实验。最后得到各化合物的结合亲和力评分，牡荆苷的结合亲和力评分为- 8.0 kcal/mol，熊果酸为7.6 kcal/mol，黄酮醇为7.8 kcal/mol。该程序的最终结果还获得了作为COVID-19主要蛋白酶作用于受体6LU7活性位点的所有氨基酸残基，即THR24、LEU27、HIS41、THR45、SER46、MET49、PHE140、LEU141、ASN142、GLY143、SER144、CYS145、HIS163、MET165、GLU166和HIS172。综上所述，牡荆素、熊果酸和黄酮醇的结合亲和力高于瑞德西韦。牡荆素、熊果酸和黄酮醇有几个类似的键，特别是范德华键和氢键。摘要:新型冠状病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒，白桦尺蠖病毒。Penelitian的翻译结果:paada hasil akhir penelitian diperoleh nilai结合亲和度达ketiga senyawa yatu senyawa牡荆素- 8.0 kcal/mol，熊果酸-7.6 kcal/mol，黄酮醇-7.8 kcal/mol。Diperoleh的数据显示，残基序列为氨基氨基杨氏病病原学抑制剂6LU7 sebagai主要蛋白酶COVID-19 THR24、LEU27、HIS41、THR45、SER46、MET49、PHE140、LEU141、ASN142、GLY143、SER144、CYS145、HIS163、MET165、GLU166、和HIS172。白藜芦醇，结合亲和物达里senyawa牡荆素，熊果酸达里黄酮醇，利比汀，达里尼莱，结合亲和物瑞德西韦。紫荆花苷，熊果酸，黄酮醇，黄酮类化合物，黄酮类化合物，黄酮类化合物，黄酮类化合物，黄酮类化合物，黄酮类化合物，黄酮类化合物Kata Kunci:分子对接，COVID-19, binahong，类黄酮

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Jurnal e-Biomedik

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