Computational chemistry in structure-based solute carrier transporter drug design: Recent advances and future perspectives

G Tu, T Fu, G Zheng, B Xu, R Gou, D Luo… - Journal of chemical …, 2024 - ACS Publications
Solute carrier transporters (SLCs) are a class of important transmembrane proteins that are
involved in the transportation of diverse solute ions and small molecules into cells. There are …

Cell-penetrating peptide-mediated biomolecule transportation in artificial lipid vesicles and living cells

A Miwa, K Kamiya - Molecules, 2024 - pmc.ncbi.nlm.nih.gov
Signal transduction and homeostasis are regulated by complex protein interactions in the
intracellular environment. Therefore, the transportation of impermeable macromolecules …

Engineering of a mammalian VMAT2 for cryo-EM analysis results in non-canonical protein folding

Y Lyu, C Fu, H Ma, Z Su, Z Sun, X Zhou - Nature Communications, 2024 - nature.com
Abstract Vesicular monoamine transporter 2 (VMAT2) belongs to the major facilitator
superfamily (MFS), and mediates cytoplasmic monoamine packaging into presynaptic …

Neurotransmitter recognition by human vesicular monoamine transporter 2

D Im, M Jormakka, N Juge, J Kishikawa, T Kato… - Nature …, 2024 - nature.com
Human vesicular monoamine transporter 2 (VMAT2), a member of the SLC18 family, plays a
crucial role in regulating neurotransmitters in the brain by facilitating their uptake and …

Structural Models of Human Norepinephrine Transporter Ensemble Reveal the Allosteric Sites and Ligand-Binding Mechanism

D Luo, Y Zhang, Y Li, Z Liu, H Wu… - The Journal of Physical …, 2024 - ACS Publications
The norepinephrine transporter (NET) plays a pivotal role in recycling norepinephrine (NE)
from the synaptic cleft. However, the structures referring to the conformational heterogeneity …

Binding mechanism and antagonism of the vesicular acetylcholine transporter VAChT

Q Ma, K Ma, Y Dong, Y Meng, J Zhao, R Li… - Nature Structural & …, 2025 - nature.com
The vesicular acetylcholine transporter (VAChT) has a pivotal role in packaging and
transporting acetylcholine for exocytotic release, serving as a vital component of cholinergic …

Recent advances in the natural product analogues for the treatment of neurodegenerative diseases

J Zhang, P Jiang, S Wang, M Li, Z Hao, W Guan… - Bioorganic …, 2024 - Elsevier
Neurodegenerative diseases (NDs) represent a hallmark of numerous incapacitating and
untreatable conditions, the incidence of which is escalating swiftly, exemplified by …

A fiducial-assisted strategy compatible with resolving small MFS transporter structures in multiple conformations using cryo-EM

P Xie, Y Li, G Lamon, H Kuang, DN Wang… - Nature …, 2025 - nature.com
Advancements in cryo-EM have stimulated a revolution in structural biology. Yet, for
membrane proteins near the cryo-EM size threshold of approximately 40 kDa, including …

Drug inhibition and substrate transport mechanisms of human VMAT2

F Wei, H Liu, W Zhang, J Wang, Y Zhang - Nature Communications, 2025 - nature.com
Abstract Vesicular monoamine transporter 2 (VMAT2) is crucial for packaging monoamine
neurotransmitters into synaptic vesicles, with their dysregulation linked to schizophrenia …

Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism

D Wu, Z Yu, Q Chen, J Zhao, B Huang, Y Wang, J Su… - Cell Research, 2024 - nature.com
Dear Editor, Monoamine neurotransmitters include indolamine serotonin (5-HT), the
catecholamine dopamine (DA), epinephrine (EP), norepinephrine (NE), and imidazolamine …