Function and dynamics of the intrinsically disordered carboxyl terminus of β2 adrenergic receptor

J Heng, Y Hu, G Pérez-Hernández, A Inoue… - Nature …, 2023 - nature.com
Advances in structural biology have provided important mechanistic insights into signaling
by the transmembrane core of G-protein coupled receptors (GPCRs); however, much less is …

Time-resolved cryo-EM of G-protein activation by a GPCR

MM Papasergi-Scott, G Pérez-Hernández, H Batebi… - Nature, 2024 - nature.com
G-protein-coupled receptors (GPCRs) activate heterotrimeric G proteins by stimulating
guanine nucleotide exchange in the Gα subunit. To visualize this mechanism, we developed …

MutationExplorer: a webserver for mutation of proteins and 3D visualization of energetic impacts

M Philipp, CW Moth, N Ristic, JKS Tiemann… - Nucleic Acids …, 2024 - academic.oup.com
The possible effects of mutations on stability and function of a protein can only be
understood in the context of protein 3D structure. The MutationExplorer webserver maps …

Structural Characteristics of PON1 with Leu55Met and Gln192Arg Variants Influencing Oxidative-Stress-Related Diseases: An Integrated Molecular Modeling and …

SF Ahmad, SM Attia, TB Emran, RB Patil, SSSJ Ahmed - Medicina, 2023 - mdpi.com
Background and Objectives: PON1 is a multi-functional antioxidant protein that hydrolyzes a
variety of endogenous and exogenous substrates in the human system. Growing evidence …

Virtual screening and molecular dynamics simulation of natural compounds as potential inhibitors of serine/threonine kinase 16 for anticancer drug discovery

D Al-Fahad, G Ropón-Palacios, DA Omoboyowa… - Molecular Diversity, 2024 - Springer
Abstract Serine/threonine kinase 16 (STK 16) is involved in many facets of cellular
regulation; activation of STK 16 plays a crucial role in the migration of cancer cells …

Structural Dynamics and Bioinformatics Studies of the NSP10 from SARS-CoV-2

H Wang - 2023 - discovery.ucl.ac.uk
The coronavirus SARS-CoV-2 protects its RNA from being recognized by the host immune
responses by methylation of its 5'end, also known as capping. This process is carried out by …

Synthesis, molecular dynamics simulation, and evaluation of biological activity of novel flurbiprofen and ibuprofen‐like compounds

MT Yıldız, D Osmaniye, BN Saglik, S Levent… - Journal of Molecular … - Wiley Online Library
The frequent use of anti‐inflammatory drugs and the side effects of existing drugs keep the
need for new compounds constant. For this purpose, flurbiprofen and ibuprofen‐like …