[HTML][HTML] Recent developments in molecular modeling tools and applications related to pharmaceutical and biomedical research

P Peluso, B Chankvetadze - Journal of Pharmaceutical and Biomedical …, 2024 - Elsevier
In modern pharmaceutical and biomedical research, molecular modeling represents a
useful tool to explore processes and their mechanistic bases at the molecular level …

Polymodal control of TMEM16x channels and scramblases

E Agostinelli, P Tammaro - International Journal of Molecular Sciences, 2022 - mdpi.com
The TMEM16A/anoctamin-1 calcium-activated chloride channel (CaCC) contributes to a
range of vital functions, such as the control of vascular tone and epithelial ion transport. The …

TMEM16 scramblases thin the membrane to enable lipid scrambling

ME Falzone, Z Feng, OE Alvarenga-Cruz, Y Pan… - Biophysical …, 2022 - cell.com
1475-Plat Mechanism of open-channel block in the chloride channel TMEM16A Andy KM
Lam, Sonja Rutz, Raimund Dutzler. Department of Biochemistry, University of Zurich, Zurich …

Gating and regulatory mechanisms of TMEM16 ion channels and scramblases

SC Le, P Liang, AJ Lowry, H Yang - Frontiers in physiology, 2021 - frontiersin.org
The transmembrane protein 16 (TMEM16) family consists of Ca2+-activated ion channels
and Ca2+-activated phospholipid scramblases (CaPLSases) that passively flip-flop …

Wide-ranging cellular functions of ion channels and lipid scramblases in the structurally related TMC, TMEM16 and TMEM63 families

LY Jan, YN Jan - Nature Structural & Molecular Biology, 2024 - nature.com
Abstract Calcium (Ca2+)-activated ion channels and lipid scramblases in the
transmembrane protein 16 (TMEM16) family are structurally related to mechanosensitive ion …

Structural basis of closed groove scrambling by a TMEM16 protein

Z Feng, OE Alvarenga-Cruz, A Accardi - Biophysical Journal, 2024 - cell.com
Activation of Ca 2+-dependent TMEM16 scramblases induces the externalization of
phosphatidylserine, a key molecule in multiple signaling processes. Current models suggest …

Domain-and state-specific shape of the electric field tunes voltage sensing in voltage-gated sodium channels

AY Kostritskii, JP Machtens - Biophysical Journal, 2023 - cell.com
The ability to sense transmembrane voltage underlies most physiological roles of voltage-
gated sodium (Nav) channels. Whereas the key role of their voltage-sensing domains …

Structure and function of calcium-activated chloride channels and phospholipid scramblases in the TMEM16 family

DM Nguyen, TY Chen - Anion Channels and Transporters, 2022 - Springer
Abstract The transmembrane protein 16 (TMEM16) family consists of Ca2+-activated
chloride channels and phospholipid scramblases. Ten mammalian TMEM16 proteins …

The permeation of potassium ions through the lipid scrambling path of the membrane protein nhTMEM16

X Cheng, G Khelashvili, H Weinstein - Frontiers in molecular …, 2022 - frontiersin.org
The TMEM16 family of transmembrane proteins includes Ca2+-activated phospholipid
scramblases (PLS) that can also function as non-selective ion channels. Extensive structural …

In or out of the groove? Mechanisms of lipid scrambling by TMEM16 proteins

Z Feng, E Di Zanni, O Alvarenga, S Chakraborty… - Cell Calcium, 2024 - Elsevier
Phospholipid scramblases mediate the rapid movement of lipids between membrane
leaflets, a key step in establishing and maintaining membrane homeostasis of the …