Shahrekord University of Medical Sciences Journal of Herbmed Pharmacology 2345-5004 14 4 2025 10 01 Potential drugs for asthma allergy: In Silico study and ADMET prediction of secondary metabolites derived from Curcuma longa Linn. rhizome 496 503 10.34172/jhp.2025.53077 EN Yusuf Alif Pratama https://orcid.org/0000-0003-2920-6881 Honey Dzikri Marhaeny https://orcid.org/0000-0002-2822-2663 Mahardian Rahmadi https://orcid.org/0000-0002-7256-2446 Kevser Ӧzdemir https://orcid.org/0000-0002-5679-1417 Hilal Bardakcı https://orcid.org/0000-0003-4223-2910 Ahmed Abdallah Hasan https://orcid.org/0000-0002-0382-4916 Burkhard Kleuser https://orcid.org/0000-0002-1888-9595 Muhammad Taher https://orcid.org/0000-0002-1463-3090 Junaidi Khotib https://orcid.org/0000-0002-8468-8441 Journal Article 10.34172/jhp.2025.53077 2025 04 15 2025 09 01 Introduction: An allergy is a hypersensitivity reaction generally mediated by the immune system, which is usually followed by an increase in IgE levels. The early phase of the molecular pathogenesis of allergies begins with the binding activation of the allergen and protease-activated receptor, followed by the phosphorylation of the three protein kinases. The role of p38 MAPK, ERK1/2, and JNK are integral to the pathophysiology of allergic asthma. Curcuma longa has been known as an anti-inflammatory herbal medicine that has a potential to be an asthma allergy drug. The in silico and absorption, distribution, metabolism, excretion, and toxicology (ADMET) prediction studies were conducted to identify the C. longa secondary metabolites as a potential asthma allergy drug. Those compounds suggest the molecular activity inhibition in the inflammatory pathways underlying allergic manifestations. Methods: Candidate compounds that fulfilled Lipinski’s theoretical requirements were docked to three protein kinases using Molegro Virtual Docker Version 5.5. The rerank score of each compound was compared with those of the standard ligand and existing drug. Results: At least two compounds with rerank scores consistently lower or comparable to the existing ligands and drugs, namely compound A (1,5-dihydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-4,6-heptadien-3-one) and compound B (Bisdesmethoxycurcumin), were identified. The ADMET profile gave an outstanding result to be developed as a drug candidate. Conclusion: The secondary metabolites derived from C. longa exhibit potent inhibitory effects on those three kinases. This strategy seems to hold a significant potential for developing novel therapeutics targeting inhalant-induced allergies.