A5077108846- Computational Drug Discovery Methods
- Protein Structure and Dynamics
- Cell death mechanisms and regulation
- Cholinesterase and Neurodegenerative Diseases
- Diabetes Treatment and Management
- Receptor Mechanisms and Signaling
- Peptidase Inhibition and Analysis
- Hormonal Regulation and Hypertension
- Protein Kinase Regulation and GTPase Signaling
- Neuropeptides and Animal Physiology
- Alzheimer's disease research and treatments
- Pharmacogenetics and Drug Metabolism
- Phosphodiesterase function and regulation
- DNA and Nucleic Acid Chemistry
- Analytical Chemistry and Chromatography
- Drug Transport and Resistance Mechanisms
- Synthesis and biological activity
- Hormonal and reproductive studies
- Bioinformatics and Genomic Networks
- ATP Synthase and ATPases Research
- Free Radicals and Antioxidants
- Aldose Reductase and Taurine
- Quinazolinone synthesis and applications
- Microtubule and mitosis dynamics
- Ubiquitin and proteasome pathways
Chungnam National University
2016-2025
Korea Research Institute of Chemical Technology
2006-2024
Dongguk University
2011
Korea Electronics Technology Institute
2006
Soongsil University
2002-2003
Korea Advanced Institute of Science and Technology
1993-1997
Abstract The α-synuclein is a major component of amyloid fibrils found in Lewy bodies, the characteristic intracellular proteinaceous deposits which are pathological hallmarks neurodegenerative diseases such as Parkinson’s disease (PD) and dementia. It an intrinsically disordered protein that may undergo dramatic structural changes to form fibrils. Aggregation process from monomers through oligomeric intermediates considered disease-causative toxic mechanism. However, mechanism underlying...
A highly efficient one-pot synthesis of benzo[g]indazole derivatives has been achieved through a cascade Suzuki-Miyaura coupling and aldol condensation reaction. Using Pd(OAc)2 S-Phos as the catalytic system, reaction delivered excellent yields showed broad tolerance for various substituents on 2-formylphenylboronic acids. Moreover, this method was successfully applied to benzo[g]indazol-5-carbonitrile pyrazolo[4,3-h]quinoline-5-carbonitrile by altering partners. This versatile protocol...
Human ether-a-go-go-related gene (hERG) potassium channel blockage by small molecules may cause severe cardiac side effects. Thus, it is crucial to screen compounds for activity on the hERG channels early in drug discovery process. In this study, we collected 5299 inhibitors with diverse chemical structures from a number of sources. Based dataset, evaluated different machine learning (ML) and deep (DL) algorithms using various integer binary type fingerprints. A training set 3991 was used...
Administration of the antimitotic chemotherapeutic taxol is known to cause accumulation mitotic kinase Aurora-A (Aur-A). Here, we report that Aur-A phosphorylates S203 Fas associated with death domain protein (FADD) in response treatment. In addition, polo-like 1 (Plk1) failed phosphorylate Aur-A-unphosphorylatable FADD substitution mutant S203A, indicating phosphorylation by serves prime for Plk1-mediated at S194. The double-phosphorylation-mimicking form FADD, FADD-S194D/S203D (FADD-DD),...
SB365, Pulsatilla saponin D isolated from the root of koreana , has exhibited potential beneficial effects as a chemopreventive agent for critical health conditions including cancer. However, molecular mechanisms underlying activity SB365 remain unknown. Here, we examined anticancer efficacy against gastric cancer and its mechanism action. effectively inhibited growth cells. Its apoptotic effect was accompanied by increased evidence cleaved caspase-3 poly(ADP ribose) polymerase. To elucidate...
We extracted 15 pterosin derivatives from Pteridium aquilinum that inhibited β-site amyloid precursor protein cleaving enzyme 1 (BACE1) and cholinesterases involved in the pathogenesis of Alzheimer's disease (AD). (2R)-Pterosin B BACE1, acetylcholinesterase (AChE) butyrylcholinesterase (BChE) with an IC50 29.6, 16.2 48.1 µM, respectively. The Ki values binding energies (kcal/mol) between pterosins AChE, BChE corresponded to respective values. was a noncompetitive inhibitor against human...
SIRT1 and SIRT2 are deacetylase enzymes that belong to the sirtuin family involved in tumorigenesis. In our screen for small molecules inhibiting SIRT1/2 toxoflavin was identified. Toxoflavin potently inhibited activity vitro assay using purified protein. also by less than vitro. exhibited growth inhibition of various cancer cell lines including A549 lung cells with a GI50 48 nM. treatment increased acetylated form p53, which is substrate SIRT1. The acetylation levels α-tubulin, substrate,...
ABSTRACT This report details a method using liquid chromatography–tandem mass spectrometry (LC‐MS/MS) that allows one to determine the concentration of an atypical anticancer drug, enzalutamide, in rat plasma. Specifically, this involves addition acetonitrile and bicalutamide (internal standard) solution plasma samples. Following centrifugation mixture, aliquot supernatant was directly injected into LC‐MS/MS system. Separation achieved column packed with octadecylsilica (5 µm, 2.1 × 50 mm)...
Drug-induced liver injury (DILI) is a major concern for drug developers, regulators, and clinicians. However, there no adequate model system to assess drug-associated DILI risk in humans. In the big data era, computational models are expected play revolutionary role this field. This study aimed develop deep neural network (DNN)-based using extended connectivity fingerprints of diameter 4 (ECFP4) predict risk. Each set predictive was retrieved curated from DILIrank, LiverTox, other...