Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafr EL Sheikh University, Kafr El Sheikh, 33516, Egypt.
Microbiology and Immunology Department, Faculty of Pharmacy, Zagazig University, Al Sharqia, 44519, Egypt.
Environ Sci Pollut Res Int. 2021 Aug;28(30):40507-40514. doi: 10.1007/s11356-021-14195-9. Epub 2021 May 2.
After the early advent of the Coronavirus Disease 2019 (COVID-19) pandemic, myriads of FDA-approved drugs have been massively repurposed for COVID-19 treatment based on molecular docking against selected protein targets that play fundamental roles in the replication cycle of the novel coronavirus. Honeybee products are well known of their nutritional values and medicinal effects. Bee products contain bioactive compounds in the form of a collection of phenolic acids, flavonoids, and terpenes of natural origin that display wide spectrum antiviral effects. We revealed by molecular docking the profound binding affinity of 14 selected phenolics and terpenes present in honey and propolis (bees glue) against the main protease (M) and RNA-dependent RNA polymerase (RdRp) enzymes of the novel SARS-CoV-2 virus (the causative agent of COVID-19) using AutoDock Vina software. Of these compounds, p-coumaric acid, ellagic acid, kaempferol, and quercetin have the strongest interaction with the SARS-CoV-2 target enzymes, and it may be considered an effective COVID-19 inhibitor.
在 2019 年冠状病毒病（COVID-19）大流行早期出现后，基于针对在新型冠状病毒复制周期中起基本作用的选定蛋白靶标进行分子对接，大量已获美国食品和药物管理局（FDA）批准的药物被大量重新用于 COVID-19 治疗。蜜蜂产品以其营养价值和药用效果而闻名。蜂产品含有生物活性化合物，形式为一系列酚酸、类黄酮和萜烯，这些化合物具有广谱抗病毒作用。我们使用 AutoDock Vina 软件通过分子对接揭示了蜂蜜和蜂胶（蜜蜂胶）中 14 种选定的酚类和萜类化合物对新型 SARS-CoV-2 病毒（COVID-19 的致病因子）的主要蛋白酶（M）和 RNA 依赖性 RNA 聚合酶（RdRp）酶的深刻结合亲和力。在这些化合物中，对香豆酸、鞣花酸、山奈酚和槲皮素与 SARS-CoV-2 靶酶的相互作用最强，可被认为是一种有效的 COVID-19 抑制剂。
