Molecular Docking Study of Some Nitro Diazo Dye Derivatives as Antiviral Candidates of COVID-19
Mohammed Hadi Al–Douh, Elham Abdalrahem Bin Selim, Hassan Hadi Abdallah, Hewa Y. Abdullah, Aisha Khalid Al–Bakri, Dahab Salim Al–Nohey, Samia Mabrook Bin Mahram, Khulood Mahfoudh Yusr, Faten Abdulaziz Bin Hawiel
Asian Journal of Applied Chemistry Research · pp. 8–15 · Published 2 Apr 2021
10.9734/ajacr/2021/v8i230187Abstract
In this study, the computerized molecular docking method was used to investigate the interactions of five nitro diazo dye derivatives 1-5 with COVID-19, CLpro, RAF and PLpro as very important viral proteins to target the coronavirus SARS-CoV-2. Among the used diazo dyes, compound 5 showed the highest binding free energies and the lowest inhibition constants Ki with all studied proteins, and it exhibits a large effect to inhibit the activities of the RAF and COVID-19. Therefore, compound 5 may be useful as an antiviral candidate that worth more trials for COVID-19 disease. The binding sites of compound 5 with the tested viral proteins were evaluated.
References (20)
- 1 AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility [DOI]
- 2 Docking and scoring in virtual screening for drug discovery: methods and applications [DOI]
- 3 Unique and Conserved Features of Genome and Proteome of SARS-coronavirus, an Early Split-off From the Coronavirus Group 2 Lineage [DOI]
- 4 Computational methods for biomolecular docking [DOI]
- 5 Adsorptive removal of hazardous anionic dye “Congo red” from wastewater using waste materials and recovery by desorption [DOI]
- 6 Comparative use of bacterial, algal and protozoan tests to study toxicity of azo- and anthraquinone dyes [DOI]
- 7 Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study [DOI]
- 8 Effect of charge transfer bands on the photo-induced DNA cleavage activity of [1-(2-thiazolylazo)-2-naphtholato]copper(II) complexes [DOI]
- 9 The X-ray Crystal Structure of the Sulfonated Azo Dye Congo Red, a Non-Peptidic Inhibitor of HIV-1 Protease which also Binds to Reverse Transcriptase and Amyloid Proteins [DOI]
- 10 Structural Isomers in a 2-(5-Bromo-2-pyridylazo)-5-diethylaminophenolatochloropalladium(II) Crystal [DOI]
- 11 Design, Synthesis and Molecular Docking of some Oxazolidinone Compounds [DOI]
- 12 Molecular Structure and Spectroscopic Studies of Some Diazo Dyes Compounds using DFT Method [DOI]
- 13 The Effect of Azo Dyes on Myxovirus Neuraminidase and on Virus Multiplication [DOI]
- 14 Carcinogenicity Testing of the Cosmetic Dye: D&C Red No. 36.
- 15 Environmental Water [DOI]
- 16 Unusual Effects of Intramolecular Hydrogen Bonds and Dipole Interaction on FTIR and NMR of Some Imines [DOI]
- 17 Biophysical Study for the Interactions of Some Diazo Dyes with Human Serum Albumin [DOI]
- 18 Synthesis and antimicrobial activity of some compounds derived from diazo dyes
- 19 Protection of Chick Embryos Against Newcastle Disease Virus by Trypan Blue and Other Compounds [DOI]
- 20 SARS (severe acute respiratory syndrome) [DOI]
Cited by 1
· Biointerface Research in Applied Chemistry · 2021
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