Abstract Mitragynine pseudoindoxyl (MP), a derivative of mitragynine, is one of the prominent alkaloids derived from Mitragyna speciosa, commonly known as kratom or ketum. It exhibits considerable potential for various pharmacological applications [1]. Nevertheless, the molecular interactions between MP and cellular membranes remain poorly understood [2]. In this study, molecular dynamics (MD) simulations were employed to investigate the behavior of MP compounds within lipid bilayers, aiming to elucidate their mechanisms of membrane interaction. A model system comprising three MP molecules embedded in a fully hydrated dipalmitoylphosphatidylcholine (DPPC) lipid bilayer was simulated using the GROMACS program for a duration of 100 ns. The si...
AbstractThe interaction of PEGylated anti-hypertensive drugs, amlodipine, atenolol and lisinopril wi...
The goal of this work is to obtain a complete map on the interactions between sumatriptan, an amphip...
Anthracycline antibiotics, e.g., doxorubicin, daunomycin, and other anthraquinones, are an important...
Abstract Mitragynine pseudoindoxyl (MP), a derivative of mitragynine, is one of the prominent alkalo...
Abstract Mitragynine, an alkaloid derived from the psychotropic plant Mitragyna speciosa, commonly ...
In this work, the differential interaction of zwitterionic arginines with fully hydrated dimyristoyl...
Objective: To study the transmembrane transport of chemical components of Chinese herbs and to explo...
AbstractWe investigate the interaction between dipalmitoylphosphatidylcholine (DPPC) and a nitroxide...
We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the ...
We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the ...
Background: rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochon...
We address drug interactions with lipids using in silico simulations and in vitro experiments. The d...
P-glycoprotein (P-gp) can transport a wide range of very different hydrophobic organic molecules acr...
Background: rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochon...
P-glycoprotein (P-gp) can transport a wide range of very different hydrophobic organic molecules acr...
AbstractThe interaction of PEGylated anti-hypertensive drugs, amlodipine, atenolol and lisinopril wi...
The goal of this work is to obtain a complete map on the interactions between sumatriptan, an amphip...
Anthracycline antibiotics, e.g., doxorubicin, daunomycin, and other anthraquinones, are an important...
Abstract Mitragynine pseudoindoxyl (MP), a derivative of mitragynine, is one of the prominent alkalo...
Abstract Mitragynine, an alkaloid derived from the psychotropic plant Mitragyna speciosa, commonly ...
In this work, the differential interaction of zwitterionic arginines with fully hydrated dimyristoyl...
Objective: To study the transmembrane transport of chemical components of Chinese herbs and to explo...
AbstractWe investigate the interaction between dipalmitoylphosphatidylcholine (DPPC) and a nitroxide...
We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the ...
We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the ...
Background: rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochon...
We address drug interactions with lipids using in silico simulations and in vitro experiments. The d...
P-glycoprotein (P-gp) can transport a wide range of very different hydrophobic organic molecules acr...
Background: rhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochon...
P-glycoprotein (P-gp) can transport a wide range of very different hydrophobic organic molecules acr...
AbstractThe interaction of PEGylated anti-hypertensive drugs, amlodipine, atenolol and lisinopril wi...
The goal of this work is to obtain a complete map on the interactions between sumatriptan, an amphip...
Anthracycline antibiotics, e.g., doxorubicin, daunomycin, and other anthraquinones, are an important...