Potential of Parkia Speciosa Empty Pod Extract as A Topical Anti-inflammatory Orabase: In Silico Study

Introduction: Inflammatory conditions are often found in oral cavity such as gingivitis, post tooth extraction, stomatitis, periodontitis, and oral abscess. Pharmacological therapy given is NSAIDs, but 78.8% of patients who consume NSAIDs feel gastritis as side effect. Therefore, it’s necessary to optimize orabase (Ob)-based herbal medicine which have fast onset of action, avoid first pass metabolism, and mechanical barrier. Bitter bean peel extract (BBPE) (Parkia speciosa)-as the main waste-has good anti-inflammatory ability because it containing the highest concentration of flavonoid (Fl) (gallic acid, catechin, and ellagic acid). It was chosen because it's unspecified topically and minimum published. Objectives: To analyze potency of Ob Fl of BBPE in inhibiting COX-2. Method: Preparation of materials for Fl, control (arachidonic acid (AA) and celecoxib), COX-2 using PubChem and PDB databases. In silico carried out PASS to profiling probable anti-inflammatory, physicochemical to characterizing drug-likeness, ADMET to profiling pharmacokinetics, docking to simulating reaction, and visualization. Result: Fl of BBPE have potential as anti-inflammatory because they have Pa>0.3 and Pi<0.3 values. Fl has drug- like characteristics because they fulfill the 5 rules of Lipinski which reflects that compounds are easily absorbed and distributed to topical treatment targets, good pharmacokinetic abilities, and non-toxic to liver and topically. Fl was able to block the active site COX-2 on 371st peptide, because they had lower binding affinity (kcal/mol) (- 3.4, -4.9, and -4.6) than the control (-4.7, -3.3). Conclusion: Fl of BBPE has the potential as an anti-inflammatory for Ob because it has good inhibition against COX-2. Malaysian Journal of Medicine and Health Sciences (2024) 20(SUPP12) 59-66. doi:10.47836/mjmhs.20.s12.10