Zobrazeno 1 - 10
of 117
pro vyhledávání: '"GaMD"'
Publikováno v:
Heliyon, Vol 10, Iss 1, Pp e23222- (2024)
The ongoing challenge of managing coronaviruses, particularly SARS-CoV-2, necessitates the development of effective antiviral agents. This study introduces Lactulose octasulfate (LOS), a sulfated disaccharide, demonstrating significant antiviral acti
Externí odkaz:
https://doaj.org/article/f3635f5ebd694793957272b5c9c11bc4
Publikováno v:
Molecules, Vol 29, Iss 8, p 1875 (2024)
COVID-19 caused by SARS-CoV-2 has spread around the world. The receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 is a critical component that directly interacts with host ACE2. Here, we simulate the ACE2 recognition processes of RBD of
Externí odkaz:
https://doaj.org/article/27a229cd81654fb19b75230d5c400dda
Publikováno v:
Molecules, Vol 29, Iss 3, p 645 (2024)
The HRAS protein is considered a critical target for drug development in cancers. It is vital for effective drug development to understand the effects of mutations on the binding of GTP and GDP to HRAS. We conducted Gaussian accelerated molecular dyn
Externí odkaz:
https://doaj.org/article/43f043b8bd16491a96441ded83357fa5
Mechanistic Insights into Peptide Binding and Deactivation of an Adhesion G Protein-Coupled Receptor
Autor:
Victor A. Adediwura, Yinglong Miao
Publikováno v:
Molecules, Vol 29, Iss 1, p 164 (2023)
Adhesion G protein-coupled receptors (ADGRGs) play critical roles in the reproductive, neurological, cardiovascular, and endocrine systems. In particular, ADGRG2 plays a significant role in Ewing sarcoma cell proliferation, parathyroid cell function,
Externí odkaz:
https://doaj.org/article/2f3f816f5ac3467b96b1e922cd164769
Akademický článek
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Autor:
Hani A. Alhadrami, Ahmed S.G. Srag El-Din, Hossam M. Hassan, Ahmed M. Sayed, Albaraa H. Alhadrami, Mostafa E. Rateb, Demiana M. Naguib
Publikováno v:
Pharmaceutics, Vol 15, Iss 11, p 2531 (2023)
This study aimed to develop a self-nanoemulsifying drug delivery system (SNE) for sinapic acid (SA) to improve its solubility and antiviral activity. Optimal components for the SA-SNE formulation were selected, including Labrafil as the oil, Cremopho
Externí odkaz:
https://doaj.org/article/afa0e0769a87453a918c35296946c205
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2023)
Gastrin plays important role in stimulating the initiation and development of many gastrointestinal diseases through interacting with the cholecystokinin 2 receptor (CCK2R). The smallest bioactive unit of gastrin activating CCK2R is the C-terminal te
Externí odkaz:
https://doaj.org/article/c97542f1bf2f49d6b268eab6dd2d8cde
Akademický článek
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Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
The β2 adrenergic receptor (β2AR), one of important members of the G protein coupled receptors (GPCRs), has been suggested as an important target for cardiac and asthma drugs. Two replicas of Gaussian accelerated molecular dynamics (GaMD) simulatio
Externí odkaz:
https://doaj.org/article/eb58a6983b9f43f59df3a7fa96b2add2
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Mutations of G12 in KRAS have been involved in different cancers. Multiple replica-Gaussian accelerated molecular dynamics (MR-GaMD) simulations are applied to investigate conformational changes of the switch domains caused by G12C, G12D and G12R. Fr
Externí odkaz:
https://doaj.org/article/293c469ae10149578bb12b90fd17e9c0