<![CDATA[Infertility has becomes a significant global health issue, including in Indonesia, where 40% of cases are attributed to male factors. An increasing number of studies report the effectiveness of compounds from Saluang Belum (Luvunga sarmentosa/L. sarmentosa) in improving spermatozoa survival. However, the therapeutic effect and mechanisms of action of this compound on male reproduction are not yet been verified. Therefore, this study aimed to identify potential protein targets and to validate ligand-protein interactions through molecular docking, in order to determine the therapeutic effects and mecanisms of L. sarmentosa compounds in pathways related to male infertility. The methodology of this study was an in silico design, in which potential target proteins were identified from the overlapping of 10 L. sarmentosa compounds with male infertility-related protein using network pharmacology. Subsequently, the ligand-protein interaction were validated through molecular docking simulations, and the pharmacokinetic properties (ADMET) of the compounds were analyzed. The network pharmacology analysis reveals that vital proteins associated with pathogenetic pathway of male infertility can be modulated by L. sarmentosa such as ESR1 and PIK3CA. Docking simulation identifies two promising compounds, ostruthin and 6-phenyl-3,4-dihydro-1H-2,5-benzoxazocin-1-one, with more negative binding affinity scores (-8.50 and -7.70 kcal/mol). These compounds form stable conventional hydrogen bonds with the shortest interaction distance and predicted to have favorable ADMET properties. In conclusion, both compounds are potentially exhibit anti-infertility activity against male infertility in silico and were predicted to exhibit favorable pharmacokinetic profiles.]]>
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