CDR HOSTS MOLECULAR DYNAMICS TALK ON KRATOM ALKALOIDS MEMBRANE INTERACTIONS

17 JUNE 2025, PENANG - The Centre for Drug Research (CDR), Universiti Sains Malaysia, hosted a scientific seminar on 17 June 2025 featuring Dr. Siti Azma Jusoh, Head of Department of Pharmacology and Life Sciences, Faculty of Pharmacy, Universiti Teknologi MARA. The talk, held at the CDR meeting room from 11:00 AM to 12:00 PM, focused on the molecular dynamics (MD) simulations of kratom alkaloids and their interactions with lipid bilayers.

Titled "Interactions of Kratom Alkaloids: Mitragynine, 7-Hydroxymitragynine, and Mitragynine Pseudoindoxyl with Lipid Bilayers, A Molecular Dynamics Study", the session provided insight into the membrane behaviour of these bioactive compounds. The study examined how the alkaloids interact with the hydrophobic core and phosphate headgroups of lipid bilayers, with implications for their absorption and pharmacokinetic profiles.

Dr. Siti Azma shared that mitragynine, the major alkaloid, exhibited the fastest bilayer penetration due to its high lipophilicity and limited polar surface. In contrast, 7-hydroxymitragynine demonstrated a stronger tendency to remain at the bilayer interface due to its higher polarity and hydrogen bonding capacity, which may influence its retention near membrane surfaces. Mitragynine pseudoindoxyl, the most structurally complex of the three, showed pronounced lateral aggregation within the membrane, forming stable clusters that could affect membrane integrity and drug diffusion dynamics. These findings help explain the differing pharmacological activities and potencies of the three compounds. The study offers a mechanistic perspective that may guide future drug formulation strategies involving kratom derivatives.

Open to all staff and students, the seminar attracted attendees from various disciplines interested in natural product research, pharmacology, and computational drug discovery. The event supports Sustainable Development Goal (SDG) 3 on health and well-being, and reflects CDR dedication to advancing scientific understanding through interdisciplinary research.