Results 151 to 160 of about 137,279 (309)

Computational Studies of Liver Receptor Homolog 1 in the Presence of Small Molecule Agonists: Allosteric Communication and Virtual Screening for New Potential Drug Candidates

, 2019
Liver Receptor Homolog 1 (LRH-1) is a nuclear receptor whose dysfunction is affiliated with diseases such as diabetes and cancer. Recent investigations demonstrate that higher levels of activation and modulation of its activity can be achieved through ...
Scott, Bernard
core   +1 more source

Editorial: Sigma Receptors

Frontiers in Pharmacology, 2020
Ebru Aydar, Enrique J. Cobos, Tangui Maurice, Ruth D. Murell-Lagnado, Stephen T. Safrany   +4 more
doaj   +1 more source

Integrative residue-intuitive machine learning and MD Approach to Unveil Allosteric Site and Mechanism for β2AR

Nature Communications
Allosteric drugs offer a new avenue for modern drug design. However, the identification of cryptic allosteric sites presents a formidable challenge. Following the allostery nature of residue-driven conformation transition, we propose a state-of-the-art ...
Xin Chen, Kexin Wang, Jianfang Chen, Chao Wu, Jun Mao, Yuanpeng Song, Yijing Liu, Zhenhua Shao, Xuemei Pu   +8 more
doaj   +1 more source

An Agonist/Antagonist Photo‐Switchable Vitamin D Mimetic Enables Bidirectional Optical Control of VDR

Angewandte Chemie International Edition, EarlyView.
Vitamin D exhibits complex and cell‐specific biological effects in multiple tissues via activation of the ligand‐sensing transcription factor vitamin D receptor (VDR). The photo‐switchable vitamin D mimetic 10 transitions between VDR antagonist (E) and agonist (Z) activity upon illumination and offers unprecedented bidirectional optical control over ...
Xiu Ge, Sabine Willems, Francesco Melfi, Tufan Mukhopadhyay, Johannes Morstein, Jordan Artzy, Loris Knümann, Giorgia Sbriccoli, Jörg Pabel, Julian A. Marschner, Dirk Trauner, Daniel Merk   +11 more
wiley   +1 more source

Allosteric Lever: Toward a Principle of Specific Allosteric Response

Allostery, the phenomenon by which the perturbation of a molecule at one site alters its behavior at a remote functional site, enables control over biomolecular function.
de Groot, B., Godec, A. ; https://orcid.org/, Vossel, M.   +2 more
core   +1 more source

Zuranolone: A case study in (regulatory) rush to judgement?

British Journal of Clinical Pharmacology, EarlyView.
Abstract Sage, in collaboration with Biogen, submitted a new drug approval for zuranolone for postpartum depression (PPD) and major depressive disorder (MDD) in December 2022. In August 2023, the US Food and Drug Administration granted approval for PPD but denied approval for MDD.
Lisa Cosgrove, Milutin Kostic, Barbara Mintzes, Gianna D'Ambrozio, Allen Shaughnessy   +4 more
wiley   +1 more source

Multi‐Scale Hybrid Modeling to Predict Cell Culture Process With Metabolic Phase Transitions

Biotechnology and Bioengineering, EarlyView.
ABSTRACT To advance understanding of cellular metabolism and reduce batch‐to‐batch variability in cell culture processes, this study introduces a multi‐scale hybrid modeling framework designed to simulate and predict the dynamic behavior of CHO cell cultures undergoing metabolic phase transitions.
Keqi Wang, Sarah W. Harcum, Wei Xie
wiley   +1 more source

Engineering Murine Cross‐Reactivity Into an Affibody to Human Death Receptor 5

Biotechnology and Bioengineering, EarlyView.
ABSTRACT Interspecies cross‐reactive protein therapeutics that target conserved epitopes across species are critical for translational research. The present study showcases the engineering of an affibody molecule, originally discovered for binding to human death receptor 5 (hDR5) with 94 nM affinity, to simultaneously acquire cross‐reactivity to murine
Tse‐Han Kuo, Nagamani Vunnam, Jonathan N. Sachs, Benjamin J. Hackel   +3 more
wiley   +1 more source

Pt‐TiO2 mesoporous nanosystem co‐delivering phlorezin enables synergistic sonodynamic‐chemoimmunotherapy for hepatocellular carcinoma via directly targeting DDX5 and metabolic reprogramming modulation

BMEMat, EarlyView.
Abstract Hepatocellular carcinoma (HCC), ranking as the third leading cause of cancer‐related mortality globally, continues to pose significant therapeutic challenges. Here, we developed an innovative nanosystem, Phl@PT, based on Pt‐TiO2 nanoparticles for the co‐delivery of Phlorezin, presenting a novel approach for HCC treatment through sonodynamic ...
Kairui Liu, Bo Zhang, Yue Wan, Zhiru Yang, Abdusami Abdurahman, Mengxin He, Shengtao Hu, Yi Zhang, Xiaoke Li, Jin Chang, Jun Kang, Liren Liu, Wanghua Liu, Shao Li   +13 more
wiley   +1 more source

Breaking glycolysis: allosteric hotspots for multi-target drug repurposing. [PDF]

J Comput Aided Mol Des
Vural LS, Kahraman E, Mintemur S, Urhan S, Akten ED.   +4 more
europepmc   +1 more source