Mucoadhesive, anti-inflammatory, and antimicrobial potential of basil seeds (Ocimum basilicum L.) as an innovation for effective xerostomia therapy: An in silico study

Context: Xerostomia is a prevalent condition that significantly impairs oral function and quality of life. Despite the widespread use of artificial saliva for symptomatic management, most commercially available formulations exhibit limited mucoadhesive capacity and suboptimal anti-inflammatory and antimicrobial properties. Basil seeds (Ocimum basilicum L.) contain bioactive compounds with natural mucoadhesive polymer properties, as well as anti-inflammatory and antimicrobial activities, suggesting their potential utility as an alternative therapeutic agent for xerostomia management. Aims: To investigate the interaction of O. basilicum seed compounds with biological targets relevant to xerostomia treatment using in-silico methods. Methods: Protein and ligand structures were prepared, and ADMET was performed to profile pharmacokinetics and toxicity, molecular docking for simulation, and visualization. Molecular docking simulation was performed between basil seed compounds and MUC-1, TNF-α, deoxycytidylate deaminase, and aspartic proteinase. Results: ADMET prediction showed that the compounds exhibited complementary pharmacological properties suitable for and non-toxic to topical orabase formulation development. Xylan, galacturonic acid, eugenol, and linalool exhibited favorable interactions with MUC-1 and deoxycytidylate deaminase, demonstrating potential mucoadhesive activity. Eugenol and linalool showed notable binding to TNF-α, suggesting anti-inflammatory potential, while glucomannan and linalool interacted with Saps, consistent with possible antimicrobial potential. Conclusions: O. basilicum seed compounds demonstrate promising mucoadhesive, anti-inflammatory, and antimicrobial properties in silico. These findings support their potential as a natural, multifunctional, and halal-compatible option for developing artificial saliva to enhance xerostomia management.