## 4 Discussion
The analysis of the molecular contact surface (Con.Surf[A2]) provides information about the degree of physical interaction between the ligand and the receptor. Greater contact surface areas indicate more extensive interactions, which may favor the stability of the complex. Tariquidar exhibited the largest contact surface (633.75 A2) and is defined as a molecule with a large molecular surface area. However, other compounds, such as oificimalonic acids G (562.15 A2), oificimalonic acids D (565.94 A2), and ganoderic acid T (587.44 A2) also showed significative areas, demonstrating their strong interaction capacity. On the other hand, compounds such as ergosta-4,6,8(14),22-tetraen-3-one (367.21 A2), (22E)-19-norergosta-5,7,9,22-tetraen-3\(\beta\)-ol (384.84 A2), and eringiacetal A (388.48 A2) showed lower values, indicating less extensive interactions. To choose the least harmful compounds, toxicity prediction was performed in the second step, considering the 59 compounds with the lowest binding energies in the previous phase. Of these 59 compounds, 31 were predicted to be less toxic when compared to the control. In our toxicity predictions, most compounds showed a low probability of causing liver damage. On the other hand, it was found that many may be potentially neurotoxic and toxic to the respiratory system. In a previous study, an ergosterol derivative, ergosta-7,9(11),22-trien-3\(\beta\)-ol, isolated from the mycelium of _Antrodia camplorate_, was administered to male rats in three groups for six weeks to assess its effects on ergogenic function and fatigue. According to the data, supplementation with ergosta-7,9(11),22-trien-3\(\beta\)-ol did not cause histological changes in the primary organs evaluated (i.e., liver, muscle, heart, kidney, lung, and epididymal fat pad) [46]. These results corroborate our findings, since compounds such as ergosterol and (22E)-ergosta-5,7,22-trien-3\(\beta\)-ol did not show hepatotoxicity, cardiotoxicity, or nephrotoxicity. On the other hand, the results are contradictory with regard to respiratory toxicity. With regard to nephrotoxicity, some compounds stood out as having high predicted toxicity, associated with low LD\({}_{50}\) values. However, several other compounds also showed significant toxicity. The most concerning compounds are colossolactone H (LD\({}_{50}\) = 9 mg/kg) and oificimalonic acids C (LD\({}_{50}\) = 10 mg/kg), followed by oificimalonic acids G (LD\({}_{50}\) = 79 mg/kg) and ganoderic acid H (LD\({}_{50}\) = 200 mg/kg). However, one study showed that a triterpen, ganoderic acid A, has the ability to relieve kidney inflammation in mice, improving kidney function by regulating antioxidant activity (Trx/TrxR, GSH, SOD, GPx) and inhibiting the JAK2/STAT3, RhoA/ROCK, NF-kB, and TGF-\(\beta\)/Smad3 pathways [47]. In another study, ganoderic acid was able to protect against renal lesions caused by ischemia-reperfusion, reducing inflammation by inhibiting TLR4/MyD88/NF-kB and reducing apoptosis, as evidenced by the reduction of caspases-3 and -8 and inhibition of apoptosis in the mice [48]. Regarding colossolactone H, no studies were found evaluating the nephrotoxicity of this compound. However, a study showed that this triterpen isolated from _Ganoderma colossum_ exhibited high cytotoxicity, interfering with the cell cycle, causing apoptosis, and increasing ROS, thus resulting in DNA damage and the activation of the p53 protein, as well as exhibiting synergistic action with gefitinib, reducing tumors in resistant cells and in mouse models [49]. Most of the compounds analyzed were classified as active, which suggests a considerable impact on the respiratory system. All compounds except ergosta-4,6,8(14),22-tetraen-3-one showed inactive toxicity. This general trend indicates potential respiratory risks that require further research within a safety analysis. The compounds vary in their toxicity endpoints. With regard to carcinogenicity, 35 compounds showed toxic activity and 25 showed no toxicity.