# Molecular Targets of Minor Cannabinoids in Breast Cancer: In Silico and In Vitro Studies
## 2 Results
### Molecular Docking Results
\begin{table}
\begin{tabular}{c c c c} \hline \hline \multirow{2}{*}{**Cannabinoid Name**} & **Cannabinoid Class** & **Binding Affinity (kcal/mol)** & \multirow{2}{*}{**Relevant Interactions**} \\ \cline{1-1}  & & **Class** & **(kcal/mol)** & \\ \hline
8-Oxo-(-)-\(\Delta^{9}\)_trans_-tetrahydrocannabinol & \(\Delta^{9}\)-THC & \(-9.2\) & Hydrogen bonds with Arg115 and Leu477; \\  & & & & hydrophobic interactions with Trp224 and Phe221 \\ \hline
11-Acetoxy-(-)-\(\Delta^{9}\)_trans_-tetrahydrocannabinolic acid A & \(\Delta^{9}\)-THC & \(-8.3\) & Hydrogen bonds with Arg115, Met374, Asp309, and Leu477; hydrophobic interactions with Phe221 \\ \hline (-)-\(\Delta^{9}\)_trans_-tetrahydrocannabivarinic acid & \(\Delta^{9}\)-THC & \(-7.1\) & Hydrogen bonds with the heme group, Leu372, and Leu477; hydrophobic interactions with Trp224 and Phe221 \\ \hline (-)-\(\Delta^{9}\)_trans_-tetrahydrocannabinolic acid A-C\({}_{4}\) & \(\Delta^{9}\)-THC & \(-6.7\) & Hydrogen bonds with the heme group, Leu372, and Leu477; hydrophobic interactions with Trp224 and Phe221 \\ \hline (-)-\(\Delta^{9}\)_trans_-tetrahydrocannabinolic acid B & \(\Delta^{9}\)-THC & \(-6.0\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Trp224 and Phe221 \\ \hline \(\Delta^{8}\)_trans_-tetrahydrocannabinolic acid A & \(\Delta^{9}\)-THC & \(-4.4\) & Hydrogen bond with Asp309; hydrophobic interactions with Phe221 \\ \hline (-)-\(\Delta^{9}\)_trans_-tetrahydrocannabinal & \(\Delta^{9}\)-THC & \(-3.8\) & Hydrogen bond with Asp309; hydrophobic interactions with Trp224 and Phe221 \\ \hline Cannabidiol (CBD) & Cannabidiol & \(-8.7\) & Hydrogen bond with Asp309; hydrophobic interactions with Phe221 \\ \hline Cannabidiol & Cannabidiol & \(-7.8\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Phe221 \\ \hline (-)-Cannabidivarin (CBDV) & Cannabidiol & \(-7.6\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Phe221 \\ \hline Cannabidiol monomethylether (CBDM) & Cannabidiol & \(-7.3\) & Hydrogen bonds with Asp309 and Ser478; \\  & & & hydrophobic interactions with Phe221 \\ \hline Cannabidiol-C\({}_{4}\) (CBDB) & Cannabidiol & \(-6.9\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Phe221 \\ \hline Cannabidivarinic acid & Cannabidiol & \(-6.6\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Phe221 \\ \hline Cannabidiol acid (CBDA) & Cannabidiol & \(-5.7\) & Hydrogen bonds with Asp309 and Leu477; \\  & & & hydrophobic interactions with Phe221 \\ \hline Cannabigerol (CBG) & Cannabigerol & \(-6.1\) & Hydrophobic interactions with Phe221 and Trp224 \\ \hline Cannabinerolic acid & Cannabigerol & \(-6.7\) & Hydrogen bond with Asp309; hydrophobic interactions with Trp224 and Phe221 \\ \hline \hline \end{tabular}
\end{table} 
Table 1: Phytocannabinoids presenting AI profiles. The information obtained from molecular docking of the 45 cannabinoids considered as promising AIs, such as the bind affinity score and the description of the most important interactions, is presented. The information regarding **CBG** and **CBN** is also presented.