## 3 Results and Discussion
### TPC, TFC, and Antioxidant Activities
#### 3.1.1 Biological Activity Prediction and ADMET Analysis  
Using the PASS software, which predicts the biological reaction spectra according to the atomic structure equation, significant biological targets for Grewin have been found. This application was used to determine the targets from the original chemical structure using the multilevel neighborhoods of atoms (MNA) descriptor. The Pa and Pi scores are between 0 and 1, and can be predicted using these MNA descriptors. Depending on Pa values near 1 and Pi values close to 0, it is possible to identify the biological target active molecules [58]. The results of Grewin indicated that the following targets may have biological activity: TP53 expression enhancer, hepato-protectant, monophenol monooxygenase inhibitor, free radical scavenger, membrane integrity agonist, antimutagenic, caspase 3 stimulant, anticarcinogenic, UDP-glucuronosyltransferase substrate, chemo-preventive. Table 2 displays the predicted objectives for Grewin as well as the Pa and Pi values. The predicted values of the other four highly ranked compounds according to the docking studies are given in (Tables S1-S4). This study analyzed the ADME of Grewin and the control drug BDA-36 using the ADMETlab 2.0 [37]. This analysis represents chemical compounds' physicochemical properties and their biological functions. These physical, chemical, and biological characteristics \begin{table}
\begin{tabular}{p{113.8 pt} p{113.8 pt} p{113.8 pt} p{113.8 pt}} \hline \hline
**Samples** & **Total Phenolic Contents (\(\upmu\)g GAE/mg Extract)** & **Total Flavonoid Contents (\(\upmu\)g RE/mg Extract)** & \multicolumn{2}{c}{_In Vitro Antioxidant_} \\ \cline{3-4}  & **Total** & **Talexonoid Contents (\(\upmu\)g GAE/mg Extract)** & **DPPH Scavenging (\(\upmu\)g GAE mg Extract)** & **Reducing Power (\(\upmu\)g GAE mg Extract)** \\ \hline _A. agallocha_ & 37.203 \(\pm\) 0.14 & 276.745 \(\pm\) 0.09 & 2.394 \(\pm\) 0.009 & 9.746 \(\pm\) 0.06 \\ \hline _A. malacensis_ & 30.026 \(\pm\) 0.11 & 292.095 \(\pm\) 0.08 & 2.271 \(\pm\) 0.006 & 9.243 \(\pm\) 0.03 \\ \hline \hline \end{tabular}
\end{table} 
Table 1: Total phenolic and flavonoid content of ethanolic extracts of _A. agallocha_ and _A. malacensis_. \begin{table}
\begin{tabular}{p{113.8 pt} p{113.8 pt} p{113.8 pt}} \hline \hline
**Predicted Biological Activity** & **Pi a (\%)** & **Pa b (\%)** \\ \hline TP53 expression enhancer & 0.907 & 0.002 \\ \hline Hepato-protectant & 0.907 & 0.002 \\ \hline Monophenol monooxygenase inhibitor & 0.907 & 0.002 \\ \hline Free radical scavenger & 0.906 & 0.002 \\ \hline Membrane integrity agonist & 0.850 & 0.024 \\ \hline Antimutagenic & 0.816 & 0.004 \\ \hline Caspase 3 stimulant & 0.811 & 0.005 \\ \hline Anticarcinogenic & 0.803 & 0.005 \\ \hline UDP-glucuronosyltransferase substrate & 0.794 & 0.007 \\ \hline Chemo-preventive & 0.741 & 0.005 \\ \hline \hline \end{tabular}
\end{table} 
Table 2: [PERSON]’s predicted biological activity. are the following parameters were calculated: number of atoms, molecular weight, formal charge, number of rigid bonds, number of heteroatoms, number of rotatable bonds, topological polar surface area, number of hydrogen bond donors, number of hydrogen bond acceptor, logP at physiological pH 7.4, log of the aqueous solubility, and log of the octanol/water partition coefficient (Figure 1). For oral absorption, molecules with a molecular weight (MW) of 500 Da or less are preferred; molecules with a greater MW are absorbed across the membrane. Therefore, Grewin passes [PERSON]'s rule of five and [PERSON] rule. Human intestinal absorption (HIA), human oral bioavailability F20% and F30%, human colon adenocarcinoma cell lines (Caco-2) permeability, Madin-Darby canine kidney cells (MDCK) permeability, P-glycoprotein inhibitor (Pgp-inhibitor), and Pgp-substrate were computed to assess the absorption of Grewin. Grewin showed good Caco-2 and MDCK permeability. It is also an excellent Pgp inhibitor showing good oral bioavailability.