Macroalgae Bioactive Compounds for the Potential Antiviral of SARS-CoV-2: An In Silico Study

Coronavirus disease (COVID-19), which was due to novel coronavirus detected in December 2019 Wuhan, China for the first time and spread rapidly became a global pandemic. This study aimed predict potential of macroalgae compounds as SARS-CoV-2 antiviral by inhibiting ACE2 receptor through silico approach. Twenty-seven were obtained from PubChem (NCBI, USA), while target protein collected Protein Data Bank (PDB). Then initial screening drug-likeness conducted Lipinski rule five web server prediction bioactive probability carried out PASS (Prediction activity spectra biologically active substances) Online server. After those approved Lipinski’s online server, blind docking simulation performed using PyRx 0.8 software show binding energy value. Molecular interaction analysis done BIOVIA Discovery Studio 2016 v16.1.0 PyMOL v2.4.1 software. There are six Analysis. The result is that compound siphonaxanthin among 27 showed strong bind with -8.8 kcal/mol. also used drugs positive control: remdesivir, molnupiravir, baricitinib, lopinavir, oseltamivir, favipiravir. shows has lowest than common drug. Macroalgae predicted have antiviral. Thus, extension studies need investigate vitro vivo confirmation siphonaxanthin’s inhibitory combat SARS-CoV-2.