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.
Cited by 0
No indexed citations yet.
Related research
- Covid-2019:“A Microbiological Monster” — shares topic coverage
- COVID 19 Disease Caused by Coronavirus 2 (SARS-CoV-2) (Severe Acute Respiratory Syndrome) — shares topic coverage
- Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2): What Can Africa Learn from Ongoing Research in Epidemiology, Clinical Manifestations, Chemotherapy and Prevention? — shares topic coverage
- Azithromycin and Hydroxychloroquine Accelerate Recovery of Outpatients with Mild/Moderate COVID-19 — shares topic coverage
- Early Treatment with Hydroxychloroquine Improves Clinical Outcomes and Reduces Hospital Admissions in COVID-19 Associated Pneumonia — shares topic coverage
Article metrics
Real usage data collected on this platform.
0
Page views
0
PDF downloads
0
Outbound clicks
0
Citations
Views by country
Approximate, from request IP at view time — not citizenship or institution. Countries with fewer than 5 views are grouped as "Other".
No views recorded yet.
Traffic sources
Referring site, by host.
No traffic recorded yet.
Views and downloads exclude known bots/crawlers. Citations combines this platform's own DOI-resolved index with each external source's own reported total — see Cited by above for individually listed citing works. Last refreshed 0 seconds ago.