Speaker
Description
Hydrazone-type compounds are known for their versatile biological activities.1 This encouraged us to subject six phenolic hydrazones (1-6) to in silico investigation of potential antiviral activity against SARS-CoV-2. For this purpose, molecular docking was performed on the protein involved in viral reproduction processes main protease (Mpro).2
The obtained results revealed that all compounds docked within the active site of Mpro. Binding affinities of all compounds were in the range of -7.6 to -8.1 kcal/mol. Considering that the binding energy of FDA approved drug Lopinavir amounts -7.7 kcal/mol, investigated phenolic hydrazones can be considered as promising Mpro inhibitors.
Keywords: phenolic hydrazones, SARS-CoV-2, molecular docking, Mpro
References
1. Wahbeh, J., Milkowski, S. The Use of Hydrazones for Biomedical Applications. SLAS Technol. 2019, 24(2), 161-168. DOI: 10.1177/2472630318822713
2. Branković, J., Milovanović, V., Simijonović, D., Novaković, S., Petrović, Z., Trifunović, S., Bogdanović, G., Petrovć, V. Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2. RSC Adv. 2022, 12, 16054- 12, 16054. DOI: 10.1039/d2ra02542f
