In silico screening of potent bioactive compounds from honeybee products against COVID-19 target enzymes

被引:0
作者
Moataz A. Shaldam
Galal Yahya
Nashwa H. Mohamed
Mohamed M. Abdel-Daim
Yahya Al Naggar
机构
[1] Kafr EL Sheikh University,Department of Pharmaceutical Chemistry, Faculty of Pharmacy
[2] Zagazig University,Microbiology and Immunology Department, Faculty of Pharmacy
[3] Technical University of Kaiserslautern,Department of Molecular Genetics, Faculty of Biology
[4] Hospitals of Zagazig University,Department of Zoology, College of Science
[5] King Saud University,Pharmacology Department, Faculty of Veterinary Medicine
[6] Suez Canal University,Zoology Department, Faculty of Science
[7] Tanta University,General Zoology, Institute for Biology
[8] Martin Luther University Halle-Wittenberg,undefined
来源
Environmental Science and Pollution Research | 2021年 / 28卷
关键词
COVID-19; Honeybee products; Phenolic compounds; Molecular docking; Drug repurposing; Natural products;
D O I
暂无
中图分类号
学科分类号
摘要
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 (Mpro) 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.
引用
收藏
页码:40507 / 40514
页数:7
相关论文
共 50 条
  • [31] In Silico Discovery of Candidate Drugs against Covid-19
    Cava, Claudia
    Bertoli, Gloria
    Castiglioni, Isabella
    VIRUSES-BASEL, 2020, 12 (04):
  • [32] Anti-Viral Activity of Bioactive Molecules of Silymarin against COVID-19 via In Silico Studies
    Zhang, Chunye
    Sui, Yuxiang
    Liu, Shuai
    Yang, Ming
    PHARMACEUTICALS, 2023, 16 (10)
  • [33] In silico screening of potential anti-COVID-19 bioactive natural constituents from food sources by molecular docking
    Xu, Jing
    Gao, Liangqin
    Liang, Huiqing
    Chen, Shao-Dong
    NUTRITION, 2021, 82
  • [34] In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated Mucormycosis
    Pokharkar, Omkar
    Lakshmanan, Hariharan
    Zyryanov, Grigory
    Tsurkan, Mikhail
    MARINE DRUGS, 2022, 20 (03)
  • [35] In Silico Screening of Some Anti-Cancer Drugs Against the Main Protease of COVID-19 Using Molecular Docking
    Ouni, Leila
    Ramazani, Ali
    LETTERS IN ORGANIC CHEMISTRY, 2023, 20 (01) : 77 - 90
  • [36] An in Silico Study of the Cathepsin L Inhibitory Activity of Bioactive Compounds in Stachytarpheta jamaicensis as a Covid-19 Drug Therapy
    Utami, Juliyatin Putri
    Kurnianingsih, Nia
    Faisal, Mohammad Reza
    MAKARA JOURNAL OF SCIENCE, 2022, 26 (01) : 25 - 36
  • [37] Virtual screening and molecular docking studies o certain lead-like compounds from ZINC15 database against COVID-19 Mpro enzyme Potential lead-like compounds against COVID-19 Mpro
    Istifli, Erman Salih
    ANNALS OF CLINICAL AND ANALYTICAL MEDICINE, 2021, 12 : 120 - 125
  • [38] Emerging strategies on in silico drug development against COVID-19: challenges and opportunities
    Yadav, Manisha
    Dhagat, Swasti
    Eswari, J. Satya
    EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2020, 155
  • [39] Promising Enzymes for Inhibitors Development Against COVID-19
    Sun, Zhi-Gang
    Yu, Feng-Ling
    Qiu, Xiang-Ting
    Li, Shuang
    Li, Xue-Tang
    Zhu, Hai-Liang
    MINI-REVIEWS IN MEDICINAL CHEMISTRY, 2022, 22 (03) : 449 - 456
  • [40] Computational screening of potential drugs against COVID-19 disease: the Neuropilin-1 receptor as molecular target
    Charoute H.
    Elkarhat Z.
    Elkhattabi L.
    El Fahime E.
    Oukkache N.
    Rouba H.
    Barakat A.
    VirusDisease, 2022, 33 (1) : 23 - 31