Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
Computational studies of lipid droplets
Lipid droplets (LDs) are intracellular organelles whose primary function is energy storage.
Known to emerge from the endoplasmic reticulum (ER) bilayer, LDs have a unique structure …
Known to emerge from the endoplasmic reticulum (ER) bilayer, LDs have a unique structure …
Cancer immune therapy using engineered‛ tail-flip**'nanoliposomes targeting alternatively activated macrophages
PR Kuninty, K Binnemars-Postma, A Jarray… - Nature …, 2022 - nature.com
Abstract Alternatively-activated, M2-like tumor-associated macrophages (TAM) strongly
contribute to tumor growth, invasiveness and metastasis. Technologies to disable the pro …
contribute to tumor growth, invasiveness and metastasis. Technologies to disable the pro …
Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane
Lipid droplets (LDs) are organelles formed in the endoplasmic reticulum (ER) to store
triacylglycerol (TG) and sterol esters. The ER protein seipin is key for LD biogenesis. Seipin …
triacylglycerol (TG) and sterol esters. The ER protein seipin is key for LD biogenesis. Seipin …
Key factors governing initial stages of lipid droplet formation
Lipid droplets (LDs) are neutral lipid storage organelles surrounded by a phospholipid (PL)
monolayer. LD biogenesis from the endoplasmic reticulum is driven by phase separation of …
monolayer. LD biogenesis from the endoplasmic reticulum is driven by phase separation of …
Molecular dynamics simulations of intracellular lipid droplets: a new tool in the toolbox
J Sapia, S Vanni - FEBS letters, 2024 - Wiley Online Library
Lipid droplets (LDs) are ubiquitous intracellular organelles with a central role in multiple lipid
metabolic pathways. However, identifying correlations between their structural properties …
metabolic pathways. However, identifying correlations between their structural properties …
[HTML][HTML] Recharging your fats: CHARMM36 parameters for neutral lipids triacylglycerol and diacylglycerol
Neutral lipids (NLs) are an abundant class of cellular lipids. They are characterized by the
total lack of charged chemical groups in their structure, and, as a consequence, they play a …
total lack of charged chemical groups in their structure, and, as a consequence, they play a …
Capturing the liquid-crystalline phase transformation: Implications for protein targeting to sterol ester-rich lipid droplets
RJ Braun, JMJ Swanson - Membranes, 2022 - mdpi.com
Lipid droplets are essential organelles that store and traffic neutral lipids. The phospholipid
monolayer surrounding their neutral lipid core engages with a highly dynamic proteome that …
monolayer surrounding their neutral lipid core engages with a highly dynamic proteome that …
Raman imaging for monitoring deuterated squalene-gemcitabine nanomedicines in single living breast cancer cells
A Al Assaad, C Alaouta, D Desmaële, E Buache… - International Journal of …, 2024 - Elsevier
We have investigated the impact of gemcitabine (Gem) and deuterated gemcitabine-
squalene (GemSQ-d6) nanoparticles (NPs) on MCF7 and MDA-MB-231 breast cancer cell …
squalene (GemSQ-d6) nanoparticles (NPs) on MCF7 and MDA-MB-231 breast cancer cell …
Triglycerides Stabilize Water/Organic Interfaces of Changing Area via Conformational Flexibility
The role of triglycerides (TGs) in both natural and synthetic biological membranes has long
been the subject of study, involving metabolism, disease, and colloidal synthesis. TGs have …
been the subject of study, involving metabolism, disease, and colloidal synthesis. TGs have …