eng Oriental Scientific Publishing Company Biomedical and Pharmacology Journal 0974-6242 2026-06-16 19 2 72294 article Hasanain Abdulhameed Odhar 1 Suhad Sami Humadi 2 Azher Abdulmutaleb Ibrahim 1 Department of Pharmacology, College of pharmacy, Al-Zahrawi University, Karbala, Iraq Department of Pharmacognosy, College of pharmacy, Al-Zahrawi University, Karbala, Iraq One of the prominent neurodegenerative ailments that can inflict the elderly population is the Parkinson’s disease (PD). This disease is marked by the reduction of dopamine concentration inside brain due to the gradual destruction of the dopaminergic neurons. The treatment of PD is primarily related to symptoms mitigation, yet no treatment is available to restrain or stop the development of neuronal degeneration. In this regard, it is believed that the selective block of monoamine oxidase type B (MAO-B) enzyme can’t only reduce the metabolism of neuronal dopamine but also lower the production of the side product hydrogen peroxide. Thus, the inhibition of MAO-B enzyme may have a neuroprotective influence by limiting oxidative stress related to the release of hydrogen peroxide. Therefore, the goal of this in-silico research is to specify a selective MAO-B inhibitor by screening the Traditional Chinese Medicine (TCM) database through application of docking as well as molecular dynamics (MD) tools. As a result, it is expected that the herbal compound Paulownin may have the capacity to selectively inhibit MAO-B enzyme. In this regard, the MD simulation indicates that Paulownin has a close proximity to MAO-B active site with a high binding energy as compared to that of MAO-A. Additionally, docking image examination refers to the fact that this compound may be involved in binding with important residues of MAO-B active site. Further, prediction of several chemical features indicates that the compound may have good oral absorption. Also, Paulownin is expected to be water soluble, non-mutagenic, safe and it may have a moderate volume of distribution and CNS permeability inside the body. Lastly, the compound Paulowninwas able to record an IC₅₀ (half maximal inhibitory concentration) of 42.6 µM when tested against MAO-B enzyme in the monoamine oxidase inhibition assay. https://biomedpharmajournal.org/vol19no2/identification-of-paulownin-as-a-potential-monoamine-oxidase-b-mao-b-inhibitor-by-screening-the-traditional-chinese-medicine-tcm-database/ Docking Dynamics simulation Paulownin MAO-B TCM