Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
We present a supercomputer-driven pipeline for in silico drug discovery using enhanced
sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use …
sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use …
[HTML][HTML] Molecular characterization of membrane steroid receptors in hormone-sensitive cancers
Cancer is one of the most common causes of death worldwide, and its development is a
result of the complex interaction of genetic factors, environmental cues, and aging. Hormone …
result of the complex interaction of genetic factors, environmental cues, and aging. Hormone …
Osteocalcin and the physiology of danger
JM Berger, G Karsenty - FEBS letters, 2022 - Wiley Online Library
Bone biology has long been driven by the question as to what molecules affect cell
differentiation or the functions of bone. Exploring this issue has been an extraordinarily …
differentiation or the functions of bone. Exploring this issue has been an extraordinarily …
Role of nutrient-sensing receptor GPRC6A in regulating colonic group 3 innate lymphoid cells and inflamed mucosal healing
Q Hou, J Huang, X Xiong, Y Guo… - Journal of Crohn's and …, 2022 - academic.oup.com
Abstract Background and Aims Group 3 innate lymphoid cells [ILC3s] sense environmental
signals and are critical in gut homeostasis and immune defence. G-protein-coupled …
signals and are critical in gut homeostasis and immune defence. G-protein-coupled …
Lysine enhances the stimulation of fatty acids on milk fat synthesis via the GPRC6A-PI3K-FABP5 signaling in bovine mammary epithelial cells
X Li, P Li, L Wang, M Zhang, X Gao - Journal of agricultural and …, 2019 - ACS Publications
Amino acids can enhance milk fat synthesis in bovine mammary epithelial cells (BMECs),
but the molecular mechanism is not well-known. In this study, we explored the regulatory …
but the molecular mechanism is not well-known. In this study, we explored the regulatory …
[HTML][HTML] Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins
K Kapoor, S Thangapandian, E Tajkhorshid - Chemical Science, 2022 - pubs.rsc.org
Proteins can sample a broad landscape as they undergo conformational transition between
different functional states. At the same time, as key players in almost all cellular processes …
different functional states. At the same time, as key players in almost all cellular processes …
Pharmacology and physiological function of the orphan GPRC6A receptor
CV Jørgensen… - Basic & Clinical …, 2020 - Wiley Online Library
The G protein‐coupled receptor GPRC6A (GPCR, Class C, group 6, subtype A) is a Gq/11‐
coupled receptor widely expressed in human and rodent tissues. The proposed …
coupled receptor widely expressed in human and rodent tissues. The proposed …
Human GPRC6A mediates testosterone-induced mitogen-activated protein kinases and mTORC1 signaling in prostate cancer cells
G protein-coupled receptor family C group 6 member A (GPRC6A) is activated by
testosterone and modulates prostate cancer progression. Most humans have a GPRC6A …
testosterone and modulates prostate cancer progression. Most humans have a GPRC6A …
Explaining divergent observations regarding osteocalcin/GPRC6A endocrine signaling
M Pi, SK Nishimoto, L Darryl Quarles - Endocrinology, 2021 - academic.oup.com
A new schema proposes that the bone-derived osteocalcin (Ocn) peptide hormone activates
the G-protein–coupled receptor GPRC6A to directly regulate glucose and fat metabolism in …
the G-protein–coupled receptor GPRC6A to directly regulate glucose and fat metabolism in …
[HTML][HTML] Role of GPRC6A in regulating hepatic energy metabolism in mice
GPRC6A is a widely expressed G-protein coupled receptor that regulates energy
metabolism. Global deletion of Gprc6a in mice is reported to result in a metabolic syndrome …
metabolism. Global deletion of Gprc6a in mice is reported to result in a metabolic syndrome …