Molecular Characterization and Pharmacokinetic Differentiation of Boswellia serrata Derivatives and Zileuton

This Research assesses and contrasts the antiinflammatory efffect of natural derivatives from Boswellia serrata tree with the synthetic medication Zileuton, concentrating on their ADMET Absorption, Distribution, Metabolism, Excretion, and Toxicology profiles. Boswellia serrata, acclaimed for its medicinal potential, contains substances such as Acetyl-11-Keto-Boswellic Acid (AKBA), β-Boswellic Acid (BBA), Acetyl-β-Boswellic Acid (ABBA), and 11-Keto-β-Boswellic Acid (KBBA). Specifically, AKBA displays a high docking affinity of -6.581Kcal/mol, underscoring its effectiveness in inhibiting 5-lipoxygenase, a crucial enzyme involved in inflammation. Although its bioavailability is lower compared to other Boswellic acids, it demonstrates notable drug-like characteristics and hydrophobic properties. In comparism, KBBA achieves the highest docking value of -6.810Kcal/mol, reflecting superior binding potential and effective anti-inflammatory activity. Zileuton, while effective in inhibiting leukotriene synthesis and showing good gastrointestinal absorption, has the highest docking affinity of -7.510Kcal/mol. Nonetheless, it is linked with higher toxicity risks, including potential liver damage and carcinogenicity. In summary, AKBA is highlighted as the most potent natural anti-inflammatory compound with favorable ADMET properties, whereas Zileuton, despite its therapeutic advantages, presents significant safety concerns.