تجاوز إلى المحتوى الرئيسي
User Image

Md Ashrafuzzaman

Professor

Professor

كلية العلوم
Bldg 5, Office 2A65
المنشورات
مقال فى مجلة
2020

Charge-based interactions of antimicrobial peptides and general drugs with lipid bilayers

Ashrafuzzaman, Md. . 2020

Membrane-active agents (MAAs), such as antimicrobial peptides (AMPs) and chemotherapy drugs (CDs), induce ion pores/channels inside lipid bilayer membrane, as confirmed by standard electrophysiology experiments. A novel experimental method is described which detects agents directly at the membrane as confirmed for MAAs, CDs and aptamers. MAAs exhibit characteristic ‘charge based’ interactions with lipids. Electrostatic (ES) and van der Waals (vdW) contributions to the interaction energies have been estimated using molecular dynamics (MD) simulations. These results are consistent with the screened Coulomb interaction predictions recently developed for lipid bilayer binding of integral AMP channels. Energy- and distance-dependence of MAA-lipid interactions from MD simulations are represented by universal probability functions. A generalized model of MAA-lipid interactions is developed based on the charge and geometrical profiles of the participating lipids and AMPs. The corresponding driving force correlates directly with the stability of MAA-lipid structures as observed in electrophysiology experiments. We conclude that MAAs and similar agents that target lipid membranes exhibit physiological effects mainly due to ES and vdW interactions determined by their charge profiles.

نوع عمل المنشور
Research article
رقم المجلد
Volume 95
رقم الانشاء
107502
مجلة/صحيفة
Journal of Molecular Graphics and Modelling
مزيد من المنشورات
publications
بواسطة Mohammad Ashrafuzzaman, R. E. Koeppe II, O. S. Andersen
2024
تم النشر فى:
Int. J. Mol. Sci.
publications

See the website …

بواسطة Mohammad Ashrafuzzaman
2023
تم النشر فى:
Taylor&Francis Group-CRC Press
publications

Nanoparticles have received much attention in biomedical applications due to their unique physicochemical properties. The metal/metal oxide nanoparticles are involved in various applications,…

بواسطة Jaswanth Gowda et al.
2022
تم النشر فى:
Journal of Drug Delivery Science and Technology