Title:Design, Synthesis, and In Silico Studies of Novel N-(2-Aminophenyl)-2,3- Diphenylquinoxaline-6-Sulfonamide Derivatives Targeting Receptor- Binding Domain (RBD) of SARS-CoV-2 Spike Glycoprotein and their Evaluation as Antimicrobial and Antimalarial Agents
Volume: 18
Issue: 9
Author(s): Falak A. Siddiqui, Sharuk L. Khan*, Rajendra P. Marathe and Nitin V. Nema
Affiliation:
- Department of Pharmaceutical Chemistry, MUP’s College of Pharmacy (B Pharm), Degaon, Risod, Washim, Maharashtra,India
Keywords:
Design, synthesis, COVID-19, quinoxaline-sulphonamide, antifungal, PyRx virtual screening tool, molecular
docking.
Abstract:
Background: Pneumonia induced by a novel coronavirus (SARS-CoV-2) was named
coronavirus disease 2019 (COVID-19). The Receptor-binding domain (RBD) of SARS-CoV-2 spike
glycoprotein causes invasion of the virus into the host cell by attaching with human angiotensinconverting
enzyme-2 (hACE-2), which leads to further infection.
Objective: The novel N-(2-aminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide derivatives were
designed and synthesized to inhibit the RBD of SARS-CoV-2 spike glycoprotein by applying molecular
docking tools.
Methods: The synthesized products were characterized by Infrared Spectroscopy (IR) and 1H Nuclear
Magnetic Resonance (NMR).
Results: All the derivatives were found to have a very good binding affinity between -9 to -10.1
kcal/mol, better than the drugs which are under investigation for the treatment of SARS-CoV-2 infection.
Compound F1 formed 4 hydrogen bonds whereas, F4 and F10 formed two hydrogen bonds
each with RBD of SARS-CoV-2 spike glycoprotein. All the derivatives were subjected to antimicrobial,
antifungal, and antimalarial susceptibility.
Conclusion: From the above-obtained results, we have concluded that novel N-(2-aminophenyl)-2,3-
diphenylquinoxaline-6-sulfonamide derivatives have excellent potential to inhibit the receptorbinding
domain (RBD) of SARS-CoV-2 spike glycoprotein, which is now an attentive target in designing
SARS-CoV-2 inhibitors. This scaffold can hold an effective interest in the development of
inhibitors for SARS-CoV-2 in the future if drug repurposing fails to serve the purpose.
