# 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
**Cannabinoid Name** & **Cannabinoid** & \begin{tabular}{c} **Binding** \\ **Affinity** \\ **(kcal/mol)** \\ \end{tabular} & **Relevant Interactions** \\ \hline Camagerol & Cannabigerol & \(-6.6\) & \begin{tabular}{c} Hydrogen bonds with Asp309, Arg115, \\ and Met374 \\ \end{tabular} \\ \hline (-)6,7-cis-Epoxycannabigerolic acid & Cannabigerol & \(-6.3\) & \
\begin{tabular}{c} Hydrogen bonds with Asp309, Leu477, and \\ Arg115; hydrophobic interactions with Trp224 \\ \end{tabular} \\ \hline Cannabigerovaninic acid (CBGVA) & Cannabigerol & \(-5.8\) &
5-Acetyl-4-hydroxy cannabigerol & Cannabigerol & \(-5.1\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline (-)-6,7-trans-Epoxycannabigerolic acid & Cannabigerol & \(-5.4\) & \begin{tabular}{c} Hydrogen bonds with Asp309 and Leu477; \\ hydrophobic interactions with Trp224 \\ \end{tabular} \\ \hline Cannabelsole acid B-C\({}_{3}\) & Cannabielsoin & \(-6.0\) & \begin{tabular}{c} Hydrogen bonds with the heme group and Asp309 \\ \end{tabular} \\ \hline Cannabielsoin acid A & Cannabielsoin & \(-5.9\) & \begin{tabular}{c} Hydrogen bonds with Asp309 and Arg115 \\ \end{tabular} \\ \hline Cannabielsoin acid B & Cannabielsoin & \(-5.1\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Trp224 and Phe221 \\ \end{tabular} \\ \hline Cannabicyclool & Cannabicyclool & \(-9.8\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline Cannabicycloovaní & Cannabicyclool & \(-9.3\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline Cannabicycloolic acid & Cannabicyclool & \(-5.5\) & \begin{tabular}{c} Hydrogen bond with Leu477 \\ \end{tabular} \\ \hline Cannabichromevarín & Cannabichrome & \(-7.1\) & \begin{tabular}{c} Hydrogen bond with Asp309 \\ \end{tabular} \\ \hline Cannabichromeic acid (CBCA) & Cannabichrome & \(-6.4\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Trp224 \\ \end{tabular} \\ \hline Cannabichrome (CBC) & Cannabichrome & \(-6.0\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline (-)-7-Hydroxycannabichromene & Cannabichrome & \(-5.5\) & \begin{tabular}{c} Hydrogen bonds with the heme group and \\ Asp309; hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline Cannabichromevarínic acid & Cannabichrome & \(-5.2\) & \
\begin{tabular}{c} Hydrogen bond with Arg115 \\ \end{tabular} \\ \hline Cannabinol (CBN) & Cannabinol & \(-5.9\) &
\begin{tabular}{c} Hydrogen bond with Leu477; hydrophobic \\ interactions with Phe221 and Trp24 \\ \end{tabular} \\ \hline
8-Hydroxycannabinol & Cannabinol & \(-7.9\) & \
\begin{tabular}{c} Hydrogen bonds with Asp309 and Arg115 \\ \end{tabular} \\ \hline Cannabiorcol-C\({}_{1}\) & Cannabinol & \(-6.6\) &
8-Hydroxycannabinolic acid A & Cannabinol & \(-4.8\) & \begin{tabular}{c} Hydrogen bonds with Asp309 and Arg115; \\ hydrophobic interactions with Trp224 and Phe221 \\ \end{tabular} \\ \hline (-)-trans-Cannabitriol-OEt-C\({}_{5}\)\({}^{*}\) & Cannabitriol & \(-3.9\) & \begin{tabular}{c} Hydrogen bonds with Asp309, Arg115, and \\ Leu477; hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline (-)-trans-Cannabitriol-OEt-C\({}_{3}\)\({}^{*}\) & Cannabitriol & \(-3.5\) & \begin{tabular}{c} Hydrogen bonds with Asp309 and Ser478; \\ hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline (-)-\(\Delta^{2}\)-trans-(1R3,R6,6R)- & Miscellaneous & \(-9.8\) & \begin{tabular}{c} Hydrogen bonds with the heme group and Asp309; hydrophobic interactions with Trp224 and Phe221 \\ \end{tabular} \\ \hline Cannabimovone & Miscellaneous & \(-8.4\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline Cannabichromanone C & Miscellaneous & \(-7.8\) & \begin{tabular}{c} Hydrogen bonds with Asp309 and Arg115; \\ hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline Dehydrocannabifuran & Miscellaneous & \(-7.3\) & \begin{tabular}{c} Hydrogen bond with Asp309; hydrophobic \\ interactions with Phe221 \\ \end{tabular} \\ \hline Cannabichromanone B & Miscellaneous & \(-7.0\) & \
\begin{tabular}{c} Hydrogen bonds with the heme group and \\ Asp309; hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline (-)-(7R)-Cannabicoumarononic acid & Miscellaneous & \(-6.5\) &
\begin{tabular}{c} Hydrogen bonds with Asp309 and Met374; \\ hydrophobic interactions with Trp224 and Phe221 \\ \end{tabular} \\ \hline
8-Hydroxy-isohexahydrocannabivarin & Miscellaneous & \(-6.0\) & \begin{tabular}{c} Hydrogen bonds with the heme group and Asp309; \\ hydrophobic interactions with Trp224 and Phe221 \\ \end{tabular} \\ \hline Cannabicoumaronome-C\({}_{5}\) & Miscellaneous & \(-6.0\) & \
\begin{tabular}{c} Hydrogen bonds with the heme group and \\ Asp309; hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline Cannabichromanone-C\({}_{3}\) & Miscellaneous & \(-5.4\) &
\begin{tabular}{c} Hydrogen bonds with the heme group and \\ Asp309; \\ hydrophobic interactions with Phe221 \\ \end{tabular} \\ \hline \end{tabular} \({}^{*}\) Et = ethyl. \\ \hline \end{tabular}
\end{table}