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  • 标题:Phytochemistry, biological activities and in silico molecular docking studies of Oxalis pes-caprae L. compounds against SARS-CoV-2
  • 本地全文:下载
  • 作者:Farhat Gul ; Ilham Khan ; Javed Iqbal
  • 期刊名称:Journal of King Saud University - Science
  • 印刷版ISSN:1018-3647
  • 出版年度:2022
  • 卷号:34
  • 期号:6
  • 页码:1-14
  • DOI:10.1016/j.jksus.2022.102136
  • 语种:English
  • 出版社:Elsevier
  • 摘要:AbstractPhytochemicals are directly involved in therapeutic treatment or precursors to synthesize useful drugs. The current study was aimed to evaluate the phytocompounds and their biopotentials using methanolic and n-hexane extracts of various parts ofOxalis pes-caprae. For the phytochemical analysis, standard procedures were used, whereas Aluminum Chloride reagent and Follin-ciocalteau reagent methods were used to determine total flavonoid and phenolic contents. Radical scavenging DPPH, phosphomolybdenum reduction, and reducing power assays were used to assess antioxidative potentials. Antibacterial potential was determined by applying disc diffusion method while cytotoxicity was determined employing brine shrimp assay. FT-IR (Fourier-transform infrared) analysis was utilized to gather spectral information, while molecular docking tools were employed to look at howO. pes-capraeplant-based ligands interact with the target protein COVID-19 3CLPro (PDB:6LU7). Phenols, flavonoids, alkaloids and saponins were tested positive in preliminary phytochemical studies. TPC and TFC in different extracts ranging from (38.55 ± 1.72) to (65.68 ± 0.88) mg/g GAE/g and (24.75 ± 1.80) to (14.83 ± 0.92) mg/g QUE/g were used respectively. IC50value (24.75 ± 0.76 g/mL) by OXFH, total antioxidant capacity (55.89 ± 1.75) mg/g by OXLM, reducing potential (34.98 ± 1.089) mg/g by OXSM, maximum zone of inhibition againstB.subtilis(24 ± 0.65 mm) by OXLM and maximum cytotoxicity 96% with LD5019.66 (μg/mL) by OXSM were the best calculated values among all extracts. Using molecular docking, it was found that Caeruleanone A, 2′,4′-Dihydroxy-2″-(1-hydroxy-1-methylethyl) dihydrofuro [2,3-h] flavanone and Vadimezan demonstrated best affinity with the investigated SARS CoV-2 Mpro protein. This work provide justification about this plant as a source of effective phytochemicals and their potential against microbes could lead to development of biosafe drugs for the welfare of human being. In future, differentin vitroandin vivobiological studies can be performed to further investigate its biomedical potentials.
  • 关键词:KeywordsOxalis pes-capraePhytocompoundsAntioxidantAntibacterialCytotoxicityFTIRMolecular dockingSARS CoV-2 Mpro
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