Department of Biotechnology & Genetic Engineering, University of Development Alternative, Lalmatia, Dhaka, Bangladesh.
School of Allied Health Sciences, World Union for Herbal Drug Discovery (WUHeDD) and Research Excellence Center for Innovation and Health Products (RECIHP), Walailak University, Nakhon Si Thammarat, Thailand.
Trop Biomed. 2021 Dec 1;38(4):540-551. doi: 10.47665/tb.38.4.097.
Despite the huge loss of lives and massive disruption of the world economy by the COVID -19 pandemic caused by SARS -CoV-2, scientists are yet to come out with an effective therapeutic against this viral disease . Several vaccines have obtained 'emergency approval ', but difficulties are being faced in the even distribution of vaccines amongst high- and low- income countries . On top of it, comorbidities associated with COVID -19 like diabetes, hypertension and malaria can seriously impede the treatment of the main disease, thus increasing the fatality rate . This is more so in the context of sub -Saharan African and south Asian countries . Our objective was to demonstrate that a single plant containing different phytoconstituents may be used for treatment of COVID -19 and comorbidities . Towards initial selection of a plant, existing scientific literature was scanned for reported relevant traditional uses, phytochemicals and pharmacological activities of a number of plants and their phytoconstituents pertaining to treatment of COVID-19 symptoms and comorbidities. Molecular docking studies were then performed with phytochemicals of the selected plant and SARS-CoV-2 components - Mpro, and spike protein receptor binding domain and hACE2 interface using AutoDock V ina. We showed that crude extracts of an indigenous African plant, Costus afer having traditional antidiabetic and antimalarial uses, has phytochemicals with high binding affinities for Mpro, and /or spike protein receptor binding domain and hACE2 interface; the various phytochemicals with predicted high binding energies include aferoside C, dibutyl phthalate, nerolidol, suginal, and ± -terpinene, making them potential therapeutics for COVID -19. The results suggest that crude extracts and phytochemicals of C. afer can function as a treatment modality for COVID -19 and comorbidities like especially diabetes and malaria .
尽管由 SARS-CoV-2 引起的 COVID-19 大流行造成了巨大的生命损失和世界经济的巨大破坏,但科学家们尚未研制出针对这种病毒性疾病的有效治疗方法。几种疫苗已获得“紧急批准”,但在高收入和低收入国家之间公平分配疫苗方面存在困难。更糟糕的是,COVID-19 相关的合并症,如糖尿病、高血压和疟疾,会严重阻碍对主要疾病的治疗,从而增加死亡率。在撒哈拉以南非洲和南亚国家,情况更是如此。我们的目的是证明含有不同植物化学成分的单一植物可用于治疗 COVID-19 和合并症。为了初步选择一种植物,我们扫描了现有科学文献,以寻找有关几种植物及其植物化学成分的报告,这些植物化学成分与 COVID-19 症状和合并症的治疗有关。然后,我们使用 AutoDock Vina 对选定植物的植物化学成分和 SARS-CoV-2 成分-Mpro、刺突蛋白受体结合域和 hACE2 界面进行分子对接研究。我们表明,具有传统抗糖尿病和抗疟作用的非洲土着植物 Costus afer 的粗提取物具有与 Mpro 和/或刺突蛋白受体结合域和 hACE2 界面具有高结合亲和力的植物化学成分;具有预测高结合能的各种植物化学成分包括 aferoside C、邻苯二甲酸二丁酯、橙花叔醇、苏吉宁和±-萜品烯,使它们成为 COVID-19 的潜在治疗药物。结果表明,C. afer 的粗提取物和植物化学成分可以作为 COVID-19 以及糖尿病和疟疾等合并症的治疗方法。