Results 101 to 110 of about 18,386 (273)

Quantum and Molecular Dynamics Study for Binding of Macrocyclic Inhibitors to Human α-Thrombin

, 2007
Molecular dynamics simulations followed by quantum mechanical calculation and Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) analysis have been carried out to study binding of proline- and pyrazinone-based macrocyclic inhibitors (L86 and ...
Zhang, John Z.H., Mei, Ye, Wu, Emilia L., Han, KeLi   +3 more
core   +1 more source

Engineered Au@CeO2 Hybrid Nanoparticles With Microenvironment Dependent Self‐Adjustability for Integration of Tumor‐Specific Photothermal‐Chemodynamic Therapy and Inflammation Prevention

Advanced Science, EarlyView.
An intelligent Au@CeO2 Hybrid Nanoparticles (ACEF) with microenvironment‐dependent self‐adjustability was engineered to not only perform efficient and tumor‐specific photothermal‐chemodynamic therapy for precise tumor elimination, but also serve as a ROS scavenger in healthy tissues around the tumor to avoid the unexpected oxidative damage and ...
Wenyun Mu, Wenjuan Tang, Handan Zhang, Jie Liu, Jiaqi Zhang, Yu Yao, Xiao Fu, Xin Chen, Yanmin Zhang   +8 more
wiley   +1 more source

Structural Effects of Modifications on Interactions of Thrombin Binding Aptamer with Thrombin: A Molecular Dynamic Study [PDF]

Biophysical Journal, 2021
Walid M. Fahssi, Vibhav Valsangkar, Goh Woon Lee, Sweta Vangaveti, Jia Sheng, Alan A. Chen   +5 more
openaire   +1 more source

Correlated Motions and Residual Frustration in Thrombin

, 2015
: Thrombin is the central protease in the cascade of blood coagulation proteases. The structure of thrombin consists of a double β-barrel core surrounded by connecting loops and helices. Compared to chymotrypsin, thrombin has more extended loops that are
J. Andrew McCammon (12411), Elizabeth A. Komives, Elizabeth A. Komives (46353), Paul M. Gasper (1301877), Phineus R. L. Markwick (131893), J. Andrew Mccammon, Brian Fuglestad, Paul M. Gasper, Phineus R. L. Markwick, Brian Fuglestad (1301874)   +9 more
core   +1 more source

Quality Thresholds for Angiogenesis Under Acoustic Manipulation in Engineered Vascular Tissues

Advanced Science, EarlyView.
Defined biological and physical quality thresholds achieved through acoustic manipulation regulate cellular alignment and spatial organization, promoting self‐assembling vasculature, extracellular matrix deposition, and angiogenic responses, thereby establishing critical acoustic patterning requirements for engineered vascular tissue development in ...
Oscar O'Dwyer Lancaster‐Jones, Russell Quinn, Niloofar Khoshdel Rad, Kilian Paul, Andrea Frank, Daniela F. Duarte Campos   +5 more
wiley   +1 more source

COMPUTATIONAL STUDY FOR BINDING OF OSCILLARIN TO HUMAN alpha-THROMBIN

, 2009
Quantum mechanical calculation and molecular dynamics simulation have been carried out to study binding of Oscillarin (OSC), an antithrombotic marine natural product to human alpha-thrombin.
韩克利, Wu, Emilia L., Han, Keli, Zhang, John Z. H.   +3 more
core  

Animal models of chronic thromboembolic pulmonary hypertension

Animal Models and Experimental Medicine, EarlyView.
Current animal models of CTEPH. Created using BioRender.com. Abstract Chronic thromboembolic pulmonary hypertension (CTEPH) is a rare, yet life‐threatening disorder characterized by persistent pulmonary vascular obstruction and elevated pulmonary artery pressure, with progressive remodeling and subsequent right heart failure.
Yong‐Jian Zhu, Lin‐Chao Zhou, Xiao‐Xue Zhang, Xiao‐Yang Ren, Yi Yan, Shao‐Fei Liu   +5 more
wiley   +1 more source

Molecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exosites

, 2020
Human α-thrombin (thrombin) is a multifunctional enzyme that plays a pivotal role in the coagulation pathway. Thrombin activity can be effectively modulated by G-quadruplex-based oligonucleotide aptamers that specifically interact with the two positively
Luigi Vitagliano (204913), Romualdo Troisi (8610657), Filomena Sica (2126005), Nicole Balasco (683009)   +3 more
core   +1 more source

Porcine kidney xenotransplantation: From primate models to clinical reality

Animal Models and Experimental Medicine, EarlyView.
In the face of a critical shortage of human donor kidneys for end‐stage renal disease patients, porcine kidney xenotransplantation has emerged as a viable solution. This field has navigated major hurdles, including immune rejection, physiological incompatibilities, potential biomechanical differences and the risk of cross‐species infection. To overcome
Zihang Guo, Ling Zhang, Shoulong Deng, Chuan Qin   +3 more
wiley   +1 more source

Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning

, 2018
Thrombin is a key component for chemotherapeutic and antithrombotic therapy development. As the physiologic and pathologic roles of the light chain still remain vague, here, we continue previous efforts to understand the impacts of the disease-associated
Ryan L. Melvin (3128796), Jiajie Xiao (3340650), Freddie R. Salsbury Jr (227245)   +2 more
core   +1 more source