## 2 Results
### Physiochemical Properties Impacting ADMET  
For effective medication, a potent molecule must reach its target in a bioactive state and remain long enough to facilitate the anticipated physiological effects. As drug development progresses, ADMET screening is increasingly integrated early in the discovery phase, mainly when candidate compounds are numerous but physical samples are limited [30]. In such scenarios, computer models serve as viable alternatives to experimentation. Researchers utilize the SwissADME web platform, which offers free access to rapid and reliable predictive models for pharmacokinetics, physicochemical properties, drug-likeness, and medicinal chemistry desirability [31]. This includes proprietary techniques such as iLOGP, BOILED-Egg, and Bioavailability Radar, aiding drug development milestones. Additionally, pkCSM employs graph-based approaches to forecast pharmacokinetic attributes based on small molecules, which are utilized to train prediction algorithms [32]. Lipophilicity is traditionally determined by the partition coefficient between n-octanol and water (log Po/w). Various computer techniques have been developed to estimate log Po/w, each with varying effectiveness across diverse chemical combinations. Multiple predictors are often employed to choose the most reliable techniques for specific chemical combinations or to generate consensus estimates [33]. Apigenin exhibits iLOGP values of 1.89. Apigenin demonstrates favorable lipophilicity (\(-0.7<\) XLOGP3 \(<\) +5). The WLOGP values based on the Wildman and Crippen fragmental methodology for apigenin is 2.58. MLOGP represents a prototype topological strategy relying on linear connection. The MLOGP values for apigenin is 0.52. The SILICOS-IT technique delineates topological descriptors for apigenin as 2.52. Having soluble molecules simplifies various drug development processes, particularly handling and formulation. Solubility is crucial for oral delivery absorption and ensuring sufficient active components in a small pharmaceutical dose volume for parenteral administration [34]. The Log S (ESOL) values are \(-3.94\), with solubilities of \(3.07\times 10^{-2}\) mg/mL and \(1.14\times 10^{-4}\) mol/L for apigenin; this indicates that apigenin is expected to be soluble (Table 5). Figure 3: Visualization of the peptide\(-\)receptor docking results between nuclear factor erythroid 2-related factor 2 (Nrf2) and 4 IQK-apigenin. \begin{table}
\begin{tabular}{c c} \hline
**Physicochemical Properties** & **Apigenin** \\ \hline Molecular weight (g/mol) & 270.24 \\ Heavy atoms & 20 \\ Fraction Csp3 & 0.00 \\ Rotatable bonds & 1 \\ H-bond acceptors & 5 \\ H-bond donors & 4 \\ TPSA (Å\({}^{2}\)) & 90.90 \\ \hline
**Lipophilicity** & **Apigenin** \\ \hline Log Po/w (iLOGP) & 1.89 \\ Log Po/w (XLOGP3) & 3.02 \\ Log Po/w (WLOGP) & 2.58 \\ Log Po/w (MLOCP) & 0.52 \\ Log Po/w (SILICOS-IT) & 2.52 \\ \hline
**Water Solubility** & **Apigenin** \\ \hline Log S (ESOL) & \(-\)3.94 \\ Solubility (mg/mL; mol/L) & \(3.07\times 10^{-2};1.14\times 10^{-4}\) \\ Class & Soluble \\ \hline
**Pharmacokinetics** & **Apigenin** \\ \hline GI absorption & High \\ BBB permeant & No \\ P-gp substrate & No \\ \hline
**Drug-likeness** & **Apigenin** \\ \hline [PERSON] & Yes; 0 violation \\ [PERSON] & Yes \\ [PERSON] & Yes \\ [PERSON] & Yes \\ [PERSON] & Yes \\ Bioavailability Score & 0.55 \\ \hline
**Medicinal Chemistry** & **Apigenin** \\ \hline PAINS & 0 alert \\ [PERSON] & 0 alert \\ Lead-likeness & Yes \\ Synthetic accessibility & 2.96 \\ \hline
**Toxicological Properties** & **Apigenin** \\ \hline AMES toxicity & No \\ Max. tolerated dose (human) (log & 0.328 \\ mg/kg/day) & \\ hERG I inhibitor & No \\ hERG II inhibitor & No \\ Oral Rat Acute Toxicity (LD50) (mol/kg) & 2.45 \\ Oral Rat Chronic Toxicity (LOAEL) (log & 2.289 \\ mg/kg\_bw/day) & \\ Hepatotoxicity & No \\ Skin Sensitization & No \\ \hline \end{tabular}
\end{table} 
Table 5: ADMET profiling through SwissADME and pkCSM analysis. tion, making them well suited for oral administration.