Background:
Covid-19, caused by a new type of coronavirus named SARS-CoV-2, has become a pandemic.
Together with SARS-CoV and MERS-CoV, Covid-19 is a large global outbreak of coronavirus infection; however, its
rate of spread is much higher. Since the vaccines and anti-SARS-CoV-2 have not been found, a faster control mechanism
is needed. Traditional herbs have shown the potential for this purpose, as has been demonstrated by the Chinese
Government with a high success rate. One of the herbs used was Lindera aggregata, which is part of the collection in
Purwodadi Botanic Garden.
Objectives:
Through in silico study, this research aims to reveal the secondary metabolites contained in L. aggregata that
have the potential to serve as anti-SARS-CoV-2 medication as well as showcase their inhibitory mechanisms.
Methods:
The research was conducted through molecular docking analysis of terpenoids and alkaloids contained in the
root of L. aggregata, with target proteins 3CLpro, PLpro, Spike, and ACE 2 playing a role in SARS-CoV-2 infection.
Result:
All analyzed compounds tended to interact with all four target proteins with different binding affinity values, but
the interaction seemed stronger with 3CLpro and Spike. Terpenoids, linderane and linderalactone, had the strongest
interaction tendency with 3CLpro, PLpro, and Spike; the compound norboldine, an alkaloid, had the strongest interaction
with ACE 2, with a binding affinity value of -8.2 kcal/mol.
Conclusion:
Terpenoids and alkaloids contained in the root of L. aggregata, which caused inhibition of adsorption and
replication of SARS-CoV-2, could serve as anti-SARS-CoV-2.
A Comprehensive in silico study for the Identification of Therapeutic target against Peripheral Neuropathic Pain in human
