Abstract：
BACKGROUND: The conventional processes of drug discovery are too expensive, timeconsuming and the success rate is limited. Searching for alternatives that have evident safety and potential efficacy could save money, time and improve the current therapeutic regimen outcomes.
METHODS: Clinical phytotherapy implies the use of extracts of natural origin for prophylaxis, treatment, or management of human disorders. In this work, the potential role of common Fig (Ficus carica) in the management of COVID-19 infections has been explored. The antiviral effects of Cyanidin 3-rhamnoglucoside which is abundant in common Figs have been illustrated on COVID-19 targets. The immunomodulatory effect and the ability to ameliorate the cytokine storm associated with coronavirus infections have also been highlighted. This work involves various computational studies to investigate the potential roles of common figs in the management of COVID-19 viral infections.
RESULTS: Two molecular docking studies of all active ingredients in common Figs were conducted starting with MOE to provide initial insights, followed by Autodock Vina for further confirmation of the results of the top five compounds with the best docking score.
CONCLUSIONS: Finally, Molecular dynamic simulation alongside MMPBSA calculations were conducted using GROMACS to endorse and validate the entire work.
METHODS: Clinical phytotherapy implies the use of extracts of natural origin for prophylaxis, treatment, or management of human disorders. In this work, the potential role of common Fig (Ficus carica) in the management of COVID-19 infections has been explored. The antiviral effects of Cyanidin 3-rhamnoglucoside which is abundant in common Figs have been illustrated on COVID-19 targets. The immunomodulatory effect and the ability to ameliorate the cytokine storm associated with coronavirus infections have also been highlighted. This work involves various computational studies to investigate the potential roles of common figs in the management of COVID-19 viral infections.
RESULTS: Two molecular docking studies of all active ingredients in common Figs were conducted starting with MOE to provide initial insights, followed by Autodock Vina for further confirmation of the results of the top five compounds with the best docking score.
CONCLUSIONS: Finally, Molecular dynamic simulation alongside MMPBSA calculations were conducted using GROMACS to endorse and validate the entire work.
摘要：
背景：药物发现的常规过程过于昂贵，耗时且成功率有限。寻找具有明显安全性和潜在功效的替代品可以节省资金，时间和改善目前的治疗方案结果。
方法：临床植物疗法意味着使用天然来源的提取物进行预防，治疗,或人类疾病的管理。在这项工作中,已经探讨了常见无花果（无花果）在COVID-19感染管理中的潜在作用。在常见图中丰富的花青素-3-鼠李糖苷的抗病毒作用已经在COVID-19靶标上得到了说明。免疫调节作用和改善与冠状病毒感染相关的细胞因子风暴的能力也已被强调。这项工作涉及各种计算研究，以调查普通无花果在COVID-19病毒感染管理中的潜在作用。
结果：从MOE开始，对普通无花果中的所有活性成分进行了两项分子对接研究，以提供初步见解，其次是AutodockVina，以进一步确认具有最佳对接得分的前五名化合物的结果。
结论：最后，使用GROMACS进行分子动力学模拟和MMPBSA计算以认可和验证整个工作。
方法：临床植物疗法意味着使用天然来源的提取物进行预防，治疗,或人类疾病的管理。在这项工作中,已经探讨了常见无花果（无花果）在COVID-19感染管理中的潜在作用。在常见图中丰富的花青素-3-鼠李糖苷的抗病毒作用已经在COVID-19靶标上得到了说明。免疫调节作用和改善与冠状病毒感染相关的细胞因子风暴的能力也已被强调。这项工作涉及各种计算研究，以调查普通无花果在COVID-19病毒感染管理中的潜在作用。
结果：从MOE开始，对普通无花果中的所有活性成分进行了两项分子对接研究，以提供初步见解，其次是AutodockVina，以进一步确认具有最佳对接得分的前五名化合物的结果。
结论：最后，使用GROMACS进行分子动力学模拟和MMPBSA计算以认可和验证整个工作。
