scholarly journals Cover Feature: Computational Design and Study of Artificial Selenoenzyme with Controllable Activity Based on an Allosteric Protein Scaffold (Chem. Eur. J. 44/2019)

2019 ◽  
Vol 25 (44) ◽  
pp. 10249-10249
Author(s):  
Siyuan Li ◽  
Wanjia Xu ◽  
Shengnan Chu ◽  
Ningning Ma ◽  
Shengda Liu ◽  
...  
Keyword(s):  
Computational Design ◽  
Protein Scaffold ◽  
Allosteric Protein

Computational Design and Study of Artificial Selenoenzyme with Controllable Activity Based on an Allosteric Protein Scaffold

2019 ◽  
Vol 25 (44) ◽  
pp. 10350-10358
Author(s):  
Siyuan Li ◽  
Wanjia Xu ◽  
Shengnan Chu ◽  
Ningning Ma ◽  
Shengda Liu ◽  
...  
Keyword(s):  
Computational Design ◽  
Protein Scaffold ◽  
Allosteric Protein

Computational design of cephradine synthase in a new scaffold identified from structural databases

2017 ◽  
Vol 53 (54) ◽  
pp. 7604-7607 ◽  
Author(s):  
Xiaoqiang Huang ◽  
Jing Xue ◽  
Yushan Zhu
Keyword(s):  
Computational Design ◽  
Protein Scaffold ◽  
Lactam Antibiotic ◽  
Structural Databases ◽  
New Protein

A new protein scaffold was identified and redesigned to catalyze the synthesis of β-lactam antibiotic cephradine.

scholarly journals Computationally-guided tuning of ligand sensitivity in a GPCR-based sensor

2021 ◽  
Author(s):  
Daniel Keri ◽  
Reto B. Cola ◽  
Kagiampaki Zacharoula ◽  
Tommaso Patriarchi ◽  
Patrick Barth
Keyword(s):  
Computational Design ◽  
Fluorescent Sensors ◽  
Proof Of Concept ◽  
Molecular Tools ◽  
Transmembrane Region ◽  
Endogenous Ligands ◽  
Protein Scaffold ◽  
Sensor Sensitivity ◽  
Ligand Sensitivity

Genetically-encoded fluorescent sensors for neuromodulators are increasingly used molecular tools in neuroscience. However, these protein-based biosensors are often limited by the sensitivity of the protein scaffold towards endogenous ligands. Here, we explored the possibility of applying computational design approaches for enhancing sensor sensitivity. Using the dopamine sensor dLight1 as proof of concept, we designed two variants that boost the sensor's potency (EC50) for dopamine and norepinephrine by up to 5- and 15-fold, respectively. Interestingly, the largest effects were obtained through improved designed allosteric transmission in the transmembrane region of the sensor. Our approach should prove generally useful for enhancing sensing capabilities of a large variety of neuromodulator sensors.

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