A5056272935- Computational Drug Discovery Methods
- Ubiquitin and proteasome pathways
- Mitochondrial Function and Pathology
- Cancer, Hypoxia, and Metabolism
- Genetics, Aging, and Longevity in Model Organisms
- Protein Degradation and Inhibitors
- Peptidase Inhibition and Analysis
- Histone Deacetylase Inhibitors Research
- Circadian rhythm and melatonin
- Click Chemistry and Applications
- Chemical Synthesis and Analysis
- Cholinesterase and Neurodegenerative Diseases
- Biochemical and Molecular Research
- Biochemical Acid Research Studies
- Telomeres, Telomerase, and Senescence
- Receptor Mechanisms and Signaling
- Metabolism, Diabetes, and Cancer
- Autophagy in Disease and Therapy
- Protein Kinase Regulation and GTPase Signaling
- Electrochemical sensors and biosensors
- Andrographolide Research and Applications
- Long-Term Effects of COVID-19
- Protein Tyrosine Phosphatases
- Biofuel production and bioconversion
- Phosphodiesterase function and regulation
Central China Normal University
2016-2025
Ministry of Education of the People's Republic of China
2025
East China University of Science and Technology
2020-2023
The reintroduction of the pseudorabies virus (PRV) has led to emergence epidemics in some pig farms China, resulting significant economic losses. Moreover, number human infections with PRV increased. Therefore, research into prevention and treatment strains is imperative. In this work, DNA polymerase (DNA pol) was found exhibit a high degree sequence structural similarity herpes simplex 1 (HSV-1) pol. Consequently, we provided first experimental evidence that PNU-183792, non-nucleoside...
Abstract The pursuit of pharmacological interventions in aging aims focuses on maximizing safety and efficacy, prompting an exploration natural products endowed with inherent medicinal properties. Subsequently, this work establishes a unique library plant extracts sourced from Yunnan Province, China. Screening herbal herein revealed that Salsola collina (JM10001) notably enhances both lifespan healthspan C. elegans . Further analysis via network pharmacology indicates the p53 signaling...
Aging induces dysfunction and increases the risk of chronic diseases in elderly, positioning development antiaging drugs to forefront research. Drug repurposing offers an efficient strategy for identifying lead compounds. In this study, we employed phenotypic screening discovered that enrofloxacin could extend lifespan Caenorhabditis elegans. Based on these findings, conducted rational drug design eliminate its antibacterial activity while maintaining lifespan-extending effect, with goal...
Fructose 1,6-bisphosphatase (FBPase) has attracted substantial interest as a target associated with cancer and type 2 diabetes. Herein, we found that disulfiram its derivatives can potently inhibit FBPase by covalently binding to new C128 allosteric site distinct from the original in APO FBPase. Further identification of inhibition mechanism reveals covalent fragment 214 will result movement dissociation helix H4 (123–128), which turn allows S123 more easily form hydrogen bonds K71 D74 H3...
Sulfonylureas are widely used oral anti-diabetic drugs. However, its long-term usage effects on patients' lifespan remain controversial, with no reports of influence animal longevity. Hence, the anti-aging chlorpropamide along glimepiride, glibenclamide, and tolbutamide were studied special emphasis interaction mitochondrial ATP-sensitive K+ (mitoK-ATP) channels complex II. Chlorpropamide delayed aging in Caenorhabditis elegans, human lung fibroblast MRC-5 cells reduced doxorubicin-induced...
Fructose-1,6-bisphosphate aldolase (FBA) represents an attractive new antifungal target. Here, we employed a structure-based optimization strategy to discover novel covalent binding site (C292 site) and the first-in-class allosteric inhibitors of FBA from Candida albicans (CaFBA). Site-directed mutagenesis, liquid chromatography–mass spectrometry, crystallographic structures APO–CaFBA, CaFBA–G3P, C157S–2a4 revealed that S268 is essential pharmacophore for catalytic activity CaFBA, L288...
With a resurgence of covalent drugs, there is an urgent need for the identification new moieties capable cysteine bond formation. Herein, we report on N-acylamino saccharin novel reactions with cysteine. Their utility as alternative electrophilic warheads was demonstrated through modification fructose-1,6-bisphosphatase (FBPase), promising target associated cancer and type 2 diabetes. The cocrystal structure title compound W8 bound FBPase unexpectedly revealed that moiety worked electrophile...
De novo drug design actively seeks to use sets of chemical rules for the fast and efficient identification structurally new chemotypes with desired set biological properties. Fragment-based de tools have been successfully applied in discovery noncovalent inhibitors. Nevertheless, these are rarely field covalent inhibitor design. Herein, we present a protocol, called Cov_FB3D, which involves silico assembly potential novel inhibitors by identifying active fragments covalently binding site...
Sodium-glucose cotransporter 2 (SGLT2) inhibitors have been reapproved for heart failure (HF) therapy in patients with and without diabetes. However, the initial glucose-lowering indication of SGLT2i has impeded their uses cardiovascular clinical practice. A challenge then becomes how to separate anti-HF activity from side-effect. To address this issue, we conducted structural repurposing EMPA, a representative SGLT2 inhibitor, strengthen reduce SGLT2-inhibitory according basis inhibition...
The development of safe and effective therapeutic interventions is an important issue for delaying aging reducing the risk aging-related diseases. Chinese herbal medicines treatment other complex diseases are desired due to their multiple components targets. Through screening effects on lifespan 836 medicine extracts, Nicandra physalodes extract (HL0285) was found exhibit extension activity in Caenorhabditis elegans (C. elegans). In further experiments, HL0285 improved healthspan, enhanced...
Combination drugs, characterized by high efficacy and few side effects, have received extensive attention from pharmaceutical companies researchers for the treatment of complex diseases such as heart failure (HF). Traditional combination drug discovery depends on large-scale high-throughput experimental approaches that are time-consuming costly. Herein we developed a novel, rapid, potentially universal computer-guided drug-network-screening approach based set databases web services easy...
Combinatorial drug therapy has attracted substantial attention as an emerging strategy for the treatment of diseases with complex pathological mechanisms. We previously developed a potentially universal computational screening approach combination drugs and used this to successfully identify some beneficial combinations heart failure. Herein, was novel epilepsy in approved library. The guaifenesin–andrographolide first discovered promising synergistic anticonvulsant activities maximal...