The study of the Quantitative Structure-Activity Relationship (QSAR) of eugenol compound and its derivatives towards antioxidant activities was conducted using electronic and molecular descriptors. These descriptors were generated from semi-empirical chemical computation with PM3 level of theory. The QSAR model in this research could be used to predict novel antioxidant compounds which are more potent. The activity of the compound determined based on the IC50 value (Inhibition Concentration 50%) was linked with the descriptor results that had been calculated in a QSAR equation. The data showed that the descriptors that had a significant effect were a net charge of C-6, C-7, O-12, and HOMO energy and hydration energy. The best QSAR equations obtained with these descriptors and their parameters are shown as follows.log1/IC50 = - 3,3026 (± 0,4066) qC6 - 4,7450 (± 0,7224) qC7 + 3,2746 (± 0,6752) qO12 + 0,6326 (± 0,0645) HOMO - 0,0086 (± 0,0011) hydration energy + 4,8053 (± 0,6336)(n = 8 ; R = 1,000 ; s = 0,004 ; F = 3655,537 ; p = 0,0003 ; Q2 = 0,988 ; SPress = 0,039 ; SDEP = 0,021)

Molecular docking of the active compounds of ginger (Zingiber officinale) has been successfully carried out. This study aims to examine the potential inhibitor of ginger's main active compounds in spike proteins on the COVID-19 virus. A total of 4 main active compounds in ginger, namely alpha-Curcumene, alpha-Farnesene, beta-Sesquiphellandrene, and Zingiberen, were studied individually for molecular docking of spike proteins in the Covid-19 virus. The results obtained were compared with the native ligand 7a94 extracted from the protein database. Molecular docking was also carried out on the combination of these active compounds. The results of this docking study indicate that -Curcumene, -Farnesene, -Sesquiphellandrene, and Zingiberen have a higher affinity than the native ligands. Combinational docking -Curcumene, -Farnesene, -Sesquiphellandrene, and Zingiberen against spike protein COVID-19 virus has a better affinity of -59.567 kcal better than native ligands of -50.053 kcal. The results of this study indicate that the main active compounds in ginger and their combination has the potential to inhibit the COVID-19 virus activity in the human body.