Exploring Anti-Inflammatory Drug Leads from Caesalpinia pulcherrima (L.) Sw. (Fabaceae) Through Bibliometric and Computational Approaches

This study integrated a bibliometric technique to chart the landscape of international research on Caesalpinia pulcherrima (L.) Sw. (Fabaceae). To further substantiate the utilisation of C. pulcherrima, in silico analyses was employed to explore prospective phytochemicals found in C. pulcherrima as novel inhibitors of NF-κB p50 subunit, a key mediator of inflammation involved in several debilitating conditions including cardiovascular and respiratory diseases, diabetes, cancer and autoimmune disorders. Bibliometric mapping revealed a concentrated global research landscape, led by India and Brazil, with high-impact collaborations centered in Europe. Molecular docking identified bonducellin (9) as a top candidate, exhibiting a superior binding affinity (-3.9 kcal/mol) compared to standard drug dexamethasone (1) (-3.7 kcal/mol). Two other phytochemicals, galactomannan (2) and 5,7-dimethoxyflavone (8), inherent in C. pulcherrima also gave promising binding energies. Pharmacokinetic profiling indicated promising drug-likeness and blood-brain barrier penetration for several flavonoids. These results support the traditional anti-inflammatory use of C. pulcherrima and highlight bonducellin as a potential lead molecule for targeted therapeutic development, requiring further experimental and clinical validation.