Seborrheic dermatitis caused by Malassezia globosa is a relapsing disease that allows for multi-drug resistance. The discovery of new antifungal agents and zeolites as a carrier is needed for further antifungal treatment. This research aims to determine the antifungal activity from extracts and fractions of Noni fruits with or without activated zeolite and predict its inhibitory activity against LIP1(SMG1) enzyme by in silico test. According to statistical results, the extract 20%-zeolite and ethyl acetate fraction 5%-zeolite of Noni fruits provided a higher inhibition zone than those without zeolite. Ethyl acetate fractions as active compounds identified by GC-MS followed by molecular docking. The prediction of the molecular docking depicts that bromocriptine (alkaloid quinoline group) showed a lower binding affinity (∆G) compared to ketoconazole as a standard with similar amino acid residues Asn253, Phe278, Gly291, and Gln282. The SEM-EDX description of ethyl acetate fraction modified by zeolite shows that the active compounds from Noni fruits adsorbed the zeolite framework well. ADMET-Tox properties of bromocriptine were neither mutagenic nor carcinogenic. Alkaloid group is effective as a new antifungal agent for Seborrheic dermatitis, and zeolite as a carrier matrix provides a better inhibitory activity. © 2022, Rasayan Journal of Chemistry, c/o Dr. Pratima Sharma. All rights reserved.