IDENTIFYING PROPOLIS COMPOUNDS POTENTIAL TO BE COVID-19 THERAPIES BY TARGETING SARS-COV-2 MAIN PROTEASE
نویسندگان
چکیده
Objective: The study aims to perform molecular docking examine the interaction between propolis compound and SARS-CoV-2 main protease.
 Methods: protein target of this research was crystal structure protease in complex with an inhibitor N3 (PDB ID: 6LU7). ligand bioactive compounds from Propolis Tetragonula aff. biroi. 
 Results: results showed that which has potential inhibit activity Sulabiroins A (binding affinity-8.1 kcal/mol), following by (2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone acid broussoflavonol F affinity-7.9 kcal/mol) binding similarity more than 50% compared N3-main interaction.
 Conclusion: Molecular biroi activity. highest affinity presented A, F, values of-8.1 kcal/mol,-7.9 kcal/mol, and-7.9 respectively, interaction.
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ژورنال
عنوان ژورنال: International Journal of Applied Pharmaceutics
سال: 2021
ISSN: ['0975-7058']
DOI: https://doi.org/10.22159/ijap.2021.v13s2.20