A5041007255- Protein Structure and Dynamics
- Receptor Mechanisms and Signaling
- Computational Drug Discovery Methods
- Pancreatic function and diabetes
- Metabolism, Diabetes, and Cancer
- Dialysis and Renal Disease Management
- Cancer, Hypoxia, and Metabolism
- Lung Cancer Treatments and Mutations
- Sirtuins and Resveratrol in Medicine
- Efficiency Analysis Using DEA
- Chemotherapy-induced organ toxicity mitigation
- Acute Kidney Injury Research
- Mitochondrial Function and Pathology
- Photoreceptor and optogenetics research
- Renal Diseases and Glomerulopathies
- Antibiotic Resistance in Bacteria
- Machine Learning in Bioinformatics
- Neuroscience and Neural Engineering
- Calcium signaling and nucleotide metabolism
- Animal Nutrition and Physiology
- Pancreatic and Hepatic Oncology Research
- Cancer Mechanisms and Therapy
- Colorectal Cancer Treatments and Studies
- Optimization and Variational Analysis
- Epigenetics and DNA Methylation
Nanjing Medical University
2016-2024
Rice University
2022-2024
Guangxi Medical University
2024
Jiangsu Province Hospital
2016-2024
Guangxi Academy of Sciences
2024
The First Affiliated Hospital, Sun Yat-sen University
2024
Guangxi University of Chinese Medicine
2024
Sun Yat-sen University
2024
Tsinghua University
2024
Zhejiang University
2023
Abstract Motivation: The use of allosteric modulators as preferred therapeutic agents against classic orthosteric ligands has colossal advantages, including higher specificity, fewer side effects and lower toxicity. Therefore, the computational prediction sites in proteins is receiving increased attention field drug discovery. Allosite a newly developed automatic tool for interest now available through web server. Availability: server tutorials are freely at http://mdl.shsmu.edu.cn/AST...
Allostery is the most direct, rapid and efficient way of regulating protein function, ranging from control metabolic mechanisms to signal-transduction pathways. However, an enormous amount unsystematic allostery information has deterred scientists who could benefit this field. Here, we present AlloSteric Database (ASD), first online database that provides a central resource for display, search analysis structure, function related annotation allosteric molecules. Currently, ASD contains 336...
Allosteric regulation, the most direct and efficient way of regulating protein function, is induced by binding a ligand at one site that topographically distinct from an orthosteric site. Database (ASD, available online http://mdl.shsmu.edu.cn/ASD) has been developed to provide comprehensive information featuring allosteric regulation. With increasing data, fundamental questions pertaining allostery are currently receiving more attention mechanism changes in individual entire effect...
Odorant receptors (ORs) in olfactory sensory neurons (OSNs) mediate detection of volatile odorants. Divalent sulfur compounds, such as thiols and thioethers, are extremely potent We identify a mouse OR, MOR244-3, robustly responding to (methylthio)methanethiol (MeSCH 2 SH; MTMT) heterologous cells. Found specifically male urine, strong-smelling MTMT [human threshold 100 parts per billion (ppb)] is semiochemical that attracts female mice. Nonadjacent thiol thioether groups suggest involvement...
Allostery is the most direct and efficient way for regulation of biological macromolecule function induced by binding a ligand at an allosteric site topographically distinct from orthosteric site. AlloSteric Database (ASD, http://mdl.shsmu.edu.cn/ASD) has been developed to provide comprehensive information on allostery. Owing inherent high receptor selectivity lower target-based toxicity, expected assume more prominent role in drug discovery bioengineering, leading rapid growth findings. In...
Abstract Summary: Allostery allows for the fine-tuning of protein function. Targeting allosteric sites is gaining increasing recognition as a novel strategy in drug design. The key challenge discovery has strongly motivated development computational methods and thus high-quality, publicly accessible standard data have become indispensable. Here, we report benchmarking experimentally determined through complex process, including ‘Core set’ with 235 unique ‘Core-Diversity 147 structurally...
// Chuanyan Zhao 1, * , Zhuyun Chen Jia Qi 2 Suyan Duan 1 Zhimin Huang Chengning Zhang Lin Wu Ming Zeng Bo Ningning Wang Huijuan Mao Aihua 3, 4 Changying Xing Yanggang Yuan Department of Nephrology, the First Affiliated Hospital Nanjing Medical University, Nanjing, China Pharmacy, Xinhua to Shanghai Jiaotong University School Medicine, Shanghai, 3 Children's Hospital, Institute Pediatrics, These authors are contributed equally this work Correspondence to: Yuan, email: ygyuan@njmu.edu.cn...
Ischemia/reperfusion (IR) is a common cause of acute kidney injury (AKI). However, effective therapies for IR-induced AKI are lacking. Hyperoside an active constituent in the flowers Abelmoschus manihot (L.) Medic, which traditional Chinese herbal medicine treatment various ischemic brain and heart diseases. Our previous study demonstrated that hyperoside inhibited adriamycin induced podocyte both vivo vitro. The aim this to investigate effect AKI. In mice, pretreatment could markedly...
SIRT6 belongs to the conserved NAD+-dependent deacetylase superfamily and mediates multiple biological pathological processes. Targeting by allosteric modulators represents a novel direction for therapeutics, which can overcome selectivity problem caused structural similarity of orthosteric sites among deacetylases. Here, developing reversed strategy AlloReverse, we identified cryptic site, Pocket Z, was only induced bi-directional signal triggered upon binding NAD+. Based on discovered an...
Administration of N-carbamylglutamate (NCG), an analogue endogenous N-acetyl-glutamate (an activator arginine synthesis) has been shown to enhance neonatal growth by increasing circulating levels. However, the effect NCG on pregnancy remains unknown. This study examined effects outcome and evaluated potential mechanisms involved. Reproductive performance, embryo implantation, concentration amino acids in serum uterine flushing, were determined rats fed control or supplemented diets. Ishikawa...
Leonurine, a major bioactive component from Herba Leonuri, shows therapeutic potential in several diseases, including diabetes, cardiovascular disease, bovine mastitis and depression. In kidney, it was reported that leonurine performing protective effect both acute kidney injury renal fibrosis mice models. The aim of this study is to investigate the podocyte injury. model adriamycin (ADR) -induced nephropathy, application significantly prevented early damage, macrophage infiltration...
Mitochondrial dysfunction is increasingly recognized as an important factor in glomerular diseases. Previous study has shown that mitochondrial fission contributed to dysfunction. However, the mechanism of on aldosterone-induced podocyte injury remains ambiguous. This aimed investigate pathogenic effect both vivo and vitro. In animal model nephropathy, inhibition protein dynamin-related 1 (Drp1) suppressed injury. cultured podocytes, aldosterone dose dependently induced Drp1 expression....
Abstract Summary: ODORactor is an open access web server aimed at providing a platform for identifying odorant receptors (ORs) small molecules and browsing existing OR-ligand pairs. It enables the prediction of ORs from molecular structures arbitrary chemicals by integrating two individual functionalities: verification OR recognition. The several odorants was experimentally validated in study. In addition, features comprehensive repertoire olfactory information that has been manually curated...
Human DCTPP1 (dCTP pyrophosphatase 1), also known as XTP3-transactivated protein A, belongs to MazG-like nucleoside triphosphate (NTP-PPase) superfamily. Being a newly identified pyrophosphatase, its relevance tumorigenesis and the mechanisms are not well investigated. In present study, we have confirmed our previous study that was significantly hyperexpressed in breast cancer further demonstrated strong association with tumor progression poor prognosis cancer. Knockdown of cell line MCF-7...
Novel strategies are needed to modulate β-cell differentiation and function as potential replacement or restorative therapies for diabetes. We previously demonstrated that small molecules based on the isoxazole scaffold drive neuroendocrine phenotypes. The nature of effects compounds β-cells was incompletely defined. find induces genes support phenotypes suppresses important proliferation. Isoxazole alters metabolites protects glucose-responsive signaling pathways under lipotoxic conditions....
The aim of this study was to determine the prevalence renal insufficiency in patients with lung cancer and factors associated its development. All at First Affiliated Hospital Guangzhou Medical University from January 1 December 31, 2016 who had were included study. Baseline characteristics, including age, sex, clinical features, estimated glomerular filtration rate (eGFR), echocardiographic findings, electrocardiogram results, biochemical indicators collected retrospectively. eGFR divided...