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All Journal Sasambo Journal of Pharmacy
Sentot Purwandi
Universitas STRADA Indonesia
Health Professions Medicine & Pharmacology

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In silico study of potential alkaloid compounds in Kratom Leaves (Mitragyna speciosa) as CNS stimulant Anggi Nur Prasetio; Sentot Purwandi; Sri Rahayu Dwi Purnaningtyas; Luluk Aniqoh Meliana Putri; Devita Riafinola Andaririt
Sasambo Journal of Pharmacy Vol. 7 No. 2 (2026): September
Publisher : Universitas Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/sjp.v7i2.685

Abstract

Dysfunction of Central Nervous System (CNS) is often associated with various neurological and psychiatric disorders. The use of stimulant can improve CNS function. Kratom leaves (Mitragyna speciosa) are predicted to have potential as CNS stimulant candidate through the inhibition of dopamine transporter (DAT) receptor. The objective of this study is to determine potential of alkaloid compounds contained in kratom leaves as CNS stimulant using in silico approach. This study was conducted in silico through the prediction of physicochemical properties (SwissADME), pharmacokinetic profiles (pkCSM), and molecular docking. The target protein used for DAT receptor was SLC6A3 with PDB ID: 8Y2C and 9EO4. The results showed that five test compounds met Lipinski’s Rule of Five. Pharmacokinetic predictions show that five test compounds have good pharmacokinetic profiles, with favorable absorption and distribution, although some compounds have potential to cause drug interactions and certain toxicities. Mitragynine, Paynantheine, Speciogynine, and Speciociliatine, have potential as CNS stimulants by inhibiting the DAT receptor, with binding energies ranging from -6,2 to -8,3 kcal/mol. Four of the five alkaloids in kratom leaves are predicted to have potential as CNS stimulants by inhibiting DAT receptors in silico.
Co-Authors Anggi Nur Prasetio Devita Riafinola Purnaningtyas, Sri Rahayu Dwi Putri, Luluk Aniqoh Meliana