Rauf Abdur, Rashid Umer, Khalil Anees Ahmed, Khan Shahid Ali, Anwar Sirajudheen, Alafnan Ahmed, Alamri Abdulhakeem, Rengasamy Kannan Rr
Department of Chemistry, University of Swabi, Anbar, K.P.K 23561, Pakistan.
Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, 22060, Pakistan.
S Afr J Bot. 2021 Dec;143:428-434. doi: 10.1016/j.sajb.2021.06.033. Epub 2021 Jul 1.
COVID-19 (SARS-CoV-2) is a viral disease that causes acute respiratory syndrome, which has increased the morbidity and mortality rate throughout the world. World Health Organization has declared this COVID-19 outbreak as pandemic and classified health emergency throughout the world. In the recent past, outbreaks of SARS and MERS have shown the interspecies transmission potential of coronaviruses and limitations of already prescribed drugs to overcome this global public health issue. Therefore, there is a dire need to identify a new regimen of targeted drugs from natural compounds having anti-COVID19 potential. This study aimed at screening 1018 brown algal natural compounds (many of them previously reported to have immunomodulatory effects) having probable anti-COVID19 potentials. The source compounds were extracted from MarinLit, a database dedicated to marine natural products and screened against COVID-19 main protease. The top seven compounds were further analysed, and their interactions with the active site were visualized. This study will further warrant screening the potent compounds against the virus conditions.
新冠病毒（严重急性呼吸综合征冠状病毒2）是一种引发急性呼吸综合征的病毒性疾病，已导致全球发病率和死亡率上升。世界卫生组织已宣布此次新冠疫情为全球大流行，并将其列为全球卫生紧急事件。近期，非典和中东呼吸综合征疫情已显示出冠状病毒的跨物种传播潜力，以及现有处方药在应对这一全球公共卫生问题方面的局限性。因此，迫切需要从具有抗新冠病毒潜力的天然化合物中确定一种新的靶向药物方案。本研究旨在筛选1018种具有潜在抗新冠病毒能力的褐藻天然化合物（其中许多此前已报道具有免疫调节作用）。这些源化合物从MarinLit（一个专门收录海洋天然产物的数据库）中提取，并针对新冠病毒主要蛋白酶进行筛选。对排名前七的化合物进行了进一步分析，并可视化了它们与活性位点的相互作用。本研究将进一步推动针对病毒条件筛选有效化合物。
