Evaluation of some flavanones as potential inhibitors for SARS-CoV-2 by molecular docking and pharmacological analysis
Fatma Nur Özkömeç, Mustafa Çeşme · European Journal of Science and Technology · 2021
The novel coronavirus disease 2019 (COVID-19) was first described in December 2019 and then rapidly turned into a global epidemic. Although various preventive vaccines for COVID 19 disease have been developed at an astonishing pace, the lack of effective antiviral drugs against Coronavirus makes it necessary to identify therapeutic and preventive drugs. Within the scope of this study, natural plant-derived Eriodictyol, Hesperetin and Naringenin compounds were investigated by in silico methods by adopting a drug repositioning approach. In this context, the affinity of the three compounds against SARS-CoV-2 main protease was investigated by the molecular docking method, and their binding energies were calculated as -7.3, -7.2 and -7.7 kcal/mol, respectively. The resulting protein-flavanone compounds formed stable complex structures. In the other part of the study, these compounds' pharmacological and physicochemical properties were examined under the ADME standards, observing the Lipinski rules, and it was found that the compounds exhibited a high bioavailability profile.