Extract and isolate of andrographolide from Andrographis paniculata (Burm.f.) Nees and evaluation of activity against SARS-CoV-2 in silico

Abstract

    Andrographis paniculata (Burm.f.) Nees (Acanthaceae) has been used by folk to treat cholera, fever, sore throat, infections, diarrhea... From the ethyl acetate fraction, two pure compounds, 14-deoxyandrographolide (Ap-2) and andrographolide (Ap-3) have been isolated. Molecular docking model showed that these two andrographolide compounds are able to to bind to the Mpro target of SARS-CoV-2 wild strain (6LU7) and Omicron mutant strain (7TLL), the effect is weaker than the control. positive N3 and Nirmatrevil. The docking scores of Ap-2 and Ap-3 into the two targets ranged from -12.04 to -15.65 kJ/mol. The present study has performed the isolation and structural identification of two diterpene lactones and evaluated the in silico anti-SARS-Cov-2 activity of these two compounds.