## 3 Results
### Toxicity Prediction
Other compounds, such as inontosol F and the control ratiquidar, showed active toxicity to CYP3A4. It is worth noting that many compounds showedno significant metabolic toxicity in the isoenzymes analyzed, indicating a possible low interaction profile. Based on the methodology described, where 'inactive' compounds scored 1 and 'active' compounds scored 0, the final score offers a qualitative parameter to assess the potential for toxicity, where higher-scoring compounds are considered less toxic and more promising for therapeutic use. The compounds ergosta-4,6,8(14),22-tetraen-3-one and 5\(\alpha\),8\(\alpha\)-epidoxy-24(R)-methylcholesta-6,22-dien-3\(\beta\)-D-glucopyranoside, with scores of 309, stand out, with the highest scores, suggesting that they have lower potential for toxicity (Table 2). The complete analysis with all scores for each compound is shown in Table 54 of the Supplementary Materials. On the other hand, compounds with lower scores, such as 3-Oxo-24-methyl-5\(\alpha\)-lanost-8,25-dien-21-oic acid (score 124) and oificimalonic acids C (score 125), show greater potential for adverse effects and are predicted to be more toxic. Tariquidar, used as a control, obtained a score of 217, a relatively low value. From this comparison, 31 compounds presented a higher score than tariquidar and were predicted to be less toxic and, therefore, were selected for the next screening phase. The final score thus helps to prioritize compounds with the lowest risks of toxicity and the most significant potential for therapeutic application. \begin{table}
\begin{tabular}{c c c c c} \hline \hline
**Compound** & **Name** & **Predicted Toxicity Class** & **Predicted LD50** & **Final Score** \\ \hline
**178** & Ergosta-4,6,8(14),22-tetraen-3-one & 6 & 10,000 mg/kg & 309 \\
**18** & 5\(\alpha\),8\(\alpha\)-Epidioxy-24(R)-methylcholesta-6,22- & 6 & 39,800 mg/kg & 309 \\  & dien-3\(\beta\)-D-glucopyranoside & 6 & 9000 mg/kg & 307 \\
**34** & Polyporusterone A & 6 & 9000 mg/kg & 306 \\
**182** & Lucidumol A & 6 & 5010 mg/kg & 306 \\
**26** & Antcin K & 6 & 9000 mg/kg & 305 \\
**126** & Inonotusol B & 6 & 9000 mg/kg & 303 \\
**3** & 3\(\beta\),5\(\alpha\),8\(\alpha\),22E)-5,8-Epidioxyergosta-6,22-dien-3-yl\(\beta\)- & 5 & 4000 mg/kg & 264 \\  & D-glucopyranoside & 4 & (22E,245)-Ergosta-4,22-dien-3-one & 5 & 2300 mg/kg & 263 \\
**4** & 130 & Inonotusol F & 5 & 5000 mg/kg & 263 \\
**154** & 3,11-Dixolanosta-8,24(Z)-diene-26-oic acid & 5 & 3389 mg/kg & 262 \\
**139** & Inonotsuoxides A & 5 & 3520 mg/kg & 262 \\
**45** & Aurisin A & 5 & 2500 mg/kg & 262 \\
**140** & Inonotsuoxides B & 5 & 3520 mg/kg & 262 \\
**124** & Acetyl-3-oxo-sulfurensic acid (64) & 5 & 5000 mg/kg & 261 \\
**17** & 5\(\alpha\),6\(\alpha\)-Epoxy-24(\(R\))-methylcholesta-7,22-dien-3\(\beta\)-ol & 5 & 5000 mg/kg & 261 \\
**181** & Cerevisterol & 5 & 2340 mg/kg & 261 \\
**19** & 5\(\alpha\),8\(\alpha\)-Epidioxy-24(\(R\))-methylcholesta-6,22-dien-\(\beta\)-ol & 5 & 5000 mg/kg & 261 \\
**6** & (22\(E\))-6\(\beta\)-Methoxyergosta-7,22-diene-3\(\beta\),5\(\alpha\)-diol & 5 & 2340 mg/kg & 260 \\
**194** & Ganderic Acid T & 5 & 3000 mg/kg & 259 \\
**111** & Officialonic acids D & 5 & 3267 mg/kg & 258 \\
**191** & Ganderic Acid W & 5 & 3000 mg/kg & 258 \\
**192** & Ganderic Acid X & 5 & 5000 mg/kg & 258 \\
**113** & Officialonic acids F & 5 & 3267 mg/kg & 258 \\
**195** & Polyporencic acid C & 5 & 5000 mg/kg & 257 \\
**121** & Lanostanoid 4 & 4 & 1000 mg/kg & 218 \\
**7** & (22\(E\))-19-Norergosta-5,7,9,22-tetraen-3\(\beta\)-ol & 4 & 590 mg/kg & 218 \\
**133** & Inonotsudiol A & 4 & 2000 mg/kg & 218 \\
**134** & Inonotsuoxodi A & 4 & 1000 mg/kg & 218 \\
**23** & Eburicic acid & 4 & 1000 mg/kg & 217 \\
**193** & Ganderic Acid Y & 4 & 1000 mg/kg & 217 \\
**13** & 24-Ethylcholesta-5,22-dien-3\(\beta\)-ol & 4 & 890 mg/kg & 217 \\
**Control** & Tariquidar & 4 & 1570 mg/kg & 217 \\ \hline \hline \end{tabular}
\end{table} 
Table 2: Toxicity predictions.