# COX2-Inhibitory and Cytotoxic Activities of Phytoconstituents of _Matricaria chamomilla_ L.
## 3 Results
### Molecular Docking In Silico
\begin{table}
\begin{tabular}{c c c c c} \hline \hline
**No.** & **Compounds** & **LBE (kcal/mol)** & **pKi (\(\mu\)M)** & **Pharmacophore** \\ \hline
4 & (+)-Catechin & \(-9.43\pm\) \(<\)0.01 & \(0.12\pm\) \(<\)0.01 & **ALA199**, ALA202, GLN203, THR206, HIS207, PHE210, **ASN382**, HIS386, **TRP387**, HIS388, LEU390, LEU391 \\ \hline
5 & \(\alpha\)-Bisabololol & \(-9.30\pm 0.03\) & \(0.15\pm 0.01\) & ALA199, THE206, HIS207, PHE210, ASN382, **TYR385**, HIS386, **TRP387**, HIS388, LEU390, LEU391 \\ \hline
6 & Daucosterolol & \(-9.26\pm 0.01\) & \(0.17\pm\) \(<\)0.01 & LEU145, LEU224, GLY225, HIS226, GLY227, VAL228, ASP229, GLY235, **GLU236**, THR237, LU238, **ARG333**, GLN374, ASN375, ARG376, ASN537, VAL538 \\ \hline
7 & \(\beta\)-Eudesmol & \(-9.18\pm 0.01\) & \(0.19\pm\) \(<\)0.01 & **ALA199**, ALA202, GLN203, THR206, HIS207, TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
8 & Bisabelol oxide B & \(-9.02\pm 0.01\) & \(0.24\pm\) \(<\)9.91 & **ALA199**, ALA202, GLN203, THR206, PHE210, TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
9 & Kaempferol & \(-8.93\pm 0.02\) & \(0.28\pm 0.01\) & ALA199, ALA202, GLN203, **THR206**, HIS205, **ASN382**, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
10 &
\begin{tabular}{c} Luteolin-7-O- \\ glucoseide \\ \end{tabular} & \(-8.92\pm 0.07\) & \(0.29\pm 0.03\) & PHE200, **GLN203**, HIS207, PHE210, **ASN382**, TRP3887, **HIS388, LEU390, LEU391, TYR404, VAL444 \\ \hline
11 & (-)-Epicatechin & \(-8.89\pm 0.07\) & \(0.31\pm 0.04\) & **ALA199**, ALA202, **GLN203**, HIS207, PHE210, **ASN382**, **TYR385**, HIS386, **TRP387**, HIS388, LEU390, LEU391 \\ \hline
12 & Apigenin & \(-8.84\pm 0.06\) & \(0.33\pm 0.03\) & **ALA199**, ALA202, GLN203, HIS207, PHE210, **THR212**, **ASN382**, **HIS214**, **ASN382**, TYR385, HIS386, TRP387, HIS388, LEU390 \\ \hline
13 & Quercitin hydrate & \(-8.82\pm 0.08\) & \(0.34\pm 0.04\) & **ALA199**, ALA202, GLN206, HIS207, PHE210, **ASN382**, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
14 & Chlorogenic acid & \(-8.67\pm 0.10\) & \(0.44\pm 0.08\) & **ALA199**, ALA202, GLN203, THR206, PHE210, TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
15 & Luteolin & \(-8.67\pm 0.12\) & \(0.45\pm 0.09\) & ALA202, GLN203, HIS207, PHE210, ASN382, **TYR385**, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
16 & Lupeol & \(-8.47\pm\) \(<\)0.01 & \(0.62\pm\) \(<\)0.01 & GLY225, HIS226, GLY227, VAL228, ASP229, ARG333, ILE337, TYR373, GLN374, ASN375, GLY356, ASN537, VAL538 \\ \hline
17 & Bisabolol oxide A & \(-8.38\pm\) \(<\)0.01 & \(0.71\pm 0.01\) & ALA199, PHE200, ALA202, GLN203, **THR206**, HIS207, TYR385, TRP387, LEU390, LEU391 \\ \hline
18 & Guaiazulene & \(-8.33\pm\) \(<\)0.01 & \(0.79\pm\) \(<\)0.01 &
\begin{tabular}{c} ALA199, ALA202, GLN203, HIS207, PHE210, **ASN382**, \\ TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \end{tabular} \\ \hline
19 & Myrecitin & \(-8.32\pm 0.41\) & \(0.94\pm 0.71\) & GLY225, GLY227, VAL228, GLN374, ASN375, ARG376, **GLY533**, ASN537 \\ \hline
20 & Quercitin & \(-8.29\pm 0.06\) & \(0.85\pm 0.08\) &
\begin{tabular}{c} ILE124, ASP125, **PRO128**, THR129, **THR149**, ALA151, **ASN375**, ARG376, **ALA378**, PHE529 \\ \end{tabular} \\ \hline
21 & Farnesol & \(-7.98\pm 0.10\) & \(1.42\pm 0.23\) & ALA202, THR206, TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \hline
22 & Bisabolone oxide A & \(-7.92\pm\) \(<\)0.01 & \(1.57\pm\) \(<\)0.01 & ALA199, ALA202, GLN203, THR206, PHE210, TYR385, TRP388, LEU390, LEU391 \\ \hline
23 & Chamazulene & \(-7.74\pm 0.01\) & \(2.10\pm 0.01\) &
\begin{tabular}{c} ALA199, ALA202, GLN203, THR206, **HIS207**, PHE210, **ASN382**, **ASN382**, TYR385, HIS386, TRP387, HIS388, LEU390, LEU391 \\ \end{tabular} \\ \hline
24 & Caffeic acid & \(-7.09\pm 0.08\) & \(6.41\pm 0.87\) &
\begin{tabular}{c} ALA202, THR206, TYR385, HIS386, TRP387, HIS388, \\ LEU391 \\ \end{tabular} \\ \hline
25 & (+)-Terpinen-4-ol & \(-6.92\pm\) \(<\)0.01 & \(8.47\pm 0.01\) &
\begin{tabular}{c} ALA202, GLN203, HIS207, PHE210, **THR212**, **ASN382**, **TYR385**, HIS386, TRP387, LEU390 \\ \end{tabular} \\ \hline \hline \end{tabular}
\end{table}