A5056368645- Cancer-related gene regulation
- Peptidase Inhibition and Analysis
- Epigenetics and DNA Methylation
- Chemical Synthesis and Analysis
- Mass Spectrometry Techniques and Applications
- Biochemical and Molecular Research
- Histone Deacetylase Inhibitors Research
- Protein Structure and Dynamics
- Signaling Pathways in Disease
- CRISPR and Genetic Engineering
- Sirtuins and Resveratrol in Medicine
- Spectroscopy and Quantum Chemical Studies
- Enzyme Structure and Function
- Ubiquitin and proteasome pathways
- Software Engineering Research
- Health and Medical Research Impacts
- Molecular spectroscopy and chirality
- Photoreceptor and optogenetics research
- Genomics and Chromatin Dynamics
- Analytical Chemistry and Chromatography
- Chemical Reactions and Isotopes
- RNA modifications and cancer
- Monoclonal and Polyclonal Antibodies Research
- Chemistry and Chemical Engineering
- Curcumin's Biomedical Applications
Purdue University West Lafayette
2011-2025
Guangzhou University of Chinese Medicine
2025
Center for Cancer Research
2018-2024
Central South University
2022
Xiangya Hospital Central South University
2022
Children's Medical Center
2021
Eli Lilly (United States)
2021
Purdue University Northwest
2021
Credit Suisse (Switzerland)
2021
Virginia Commonwealth University
2011-2020
Infrared (IR) and vibrational circular dichroism (VCD) spectra were measured for a series of isotopically (13C on two or more amide CO) labeled, 25 residue, α-helical peptides the sequence Ac−(AAAAK)4AAAAY−NH2 that also studied in previous paper. Theoretical IR VCD simulations performed correspondingly labeled Ac−A24−NHCH3 constrained to an conformation by use property tensor transfer from density functional theory (DFT) calculations Ac−A10−NHCH3. The predicted experiments confirmed coupling...
Protein acetylation on Lys residues is recognized as a significant post-translational modification in cells, but it often difficult to discern the direct structural and functional effects of individual events. Here we describe new tool, methylthiocarbonyl-aziridine, install acetyl-Lys mimics site-specifically into peptides proteins by alkylation Cys residues. We demonstrate that resultant thiocarbamate can be Brdt bromodomain site-specific antiacetyl-Lys antibodies, resistant histone...
Lysine-specific demethylase 1 (LSD1) is an epigenetic enzyme that oxidatively cleaves methyl groups from monomethyl and dimethyl Lys4 of histone H3 (H3K4Me1, H3K4Me2) can contribute to gene silencing. This study describes the design synthesis analogues a monoamine oxidase antidepressant, phenelzine, their LSD1 inhibitory properties. A novel phenelzine analogue (bizine) containing phenyl-butyrylamide appendage was shown be potent inhibitor in vitro selective versus oxidases A/B homologue,...
Introduction: Epigenetics is the study of reversible modifications to chromatin and their extensive profound effects on gene regulation. To date, role epigenetics in personalized medicine has been under-explored. Therefore, this review aims highlight vast potential that holds.Areas covered: We first cell-specific nature epigenetic states how these can vary with developmental stage response environmental factors. then summarize biomarkers disease, a focus diagnostic tests, followed by...
This article will review selected herbal products used in traditional Chinese medicine, including medicinal mushrooms (巴西蘑菇 bā xī mó gū; Agaricus blazei, 雲芝 yún zhī; Coriolus versicolor, 靈芝 líng Ganoderma lucidum, 香蕈 xiāng xùn; shiitake, Lentinus edodes, 牛樟芝 niú zhāng Taiwanofungus camphoratus), Cordyceps (冬蟲夏草 dōng chóng xià cǎo), pomegranate (石榴 shí liú; Granati Fructus), green tea (綠茶 lǜ chá; Theae Folium Non Fermentatum), garlic (大蒜 dà suàn; Allii Sativi Bulbus), turmeric (薑黃 jiāng...
Simulations of IR and VCD spectra are carried out for model α-helical, 310-helical, 31-helical (polyProII-like) oligopeptides, with up to 21 amide groups, including explicit consideration effects directly hydrogen-bonded solvent (water). Parameters used were obtained from ab initio density functional theory (DFT) computations force field, atomic polar axial tensors oligopeptides 5 7 amides, whose structures constrained in (φ,ψ) target the secondary structure type but otherwise fully...
Two antiparallel β-strands connected by a turn make β-hairpins an ideal model system to analyze the interactions and dynamics of β-sheets. Site-specific conformational were studied temperature-jump IR spectroscopy isotopic labeling in based on tryptophan zipper peptide, Trpzip2, developed Cochran et al. (Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 5578). The modified Trpzip2C peptides have nearly identical equilibrium spectral behavior as Trpzip2 showing that they also form well-characterized...
A series of beta-hairpin peptides based on variations the TrpZip2 sequence, SWTWENGKWTWK, Cochran and co-workers were studied using electronic circular dichroism (CD) infrared (IR) spectra by varying temperature pH. Selected tryptophan residues substituted with Val to test impact specific Trp interactions hairpin stability. Native-state structures two variants determined 2-D NMR shown have same cross-strand edge-to-face Trp-Trp interaction as in Trpzip2. Thermally induced conformational...
A novel clicked bisubstrate analogue (NAM-TZ-SPKRIA) was designed and synthesized to be a potent, selective, first NTMT1 inhibitor.
Nicotinamide N-methyltransferase (NNMT) catalyzes the methyl transfer from cofactor S-adenosylmethionine to nicotinamide and other pyridine-containing compounds. NNMT is an important regulator for metabolism methylation potential. Aberrant expression levels of have been implicated in cancer, metabolic, neurodegenerative diseases, which makes a potential therapeutic target. Therefore, potent selective inhibitors can serve as valuable tools investigate roles its mediated diseases. Here, we...
Conformational properties of a 12-residue tryptophan zipper (trpzip) β-hairpin peptide (AWAWENGKWAWK-NH2, modification the original trpzip2 sequence) are analyzed under equilibrium conditions using ECD and IR spectra series variants, singly doubly C1-labeled with 13C on amide C═O. The characteristic features 13C═O component I′ band their sensitivity to local structure used differentiate stabilities for parts hairpin structure. Doubly labeled indicate that ends β-strands frayed center part is...
The protein N-terminal methyltransferase 1 (NTMT1) catalyzes the transfer of methyl group from S-adenosyl-l-methionine to α-amine, resulting in formation S-adenosyl-l-homocysteine and α-N-methylated proteins. NTMT1 is an interesting potential anticancer target because it overexpressed gastrointestinal cancers plays important role cell mitosis. To gain insight into biochemical mechanism NTMT1, we have characterized kinetic recombinant using a fluorescence assay mass spectrometry. results...
α-N-terminal methylation represents a highly conserved and prevalent post-translational modification, yet its biological function has remained largely speculative. The recent discovery of methyltransferase 1 (NTMT1) physiological substrates propels the elucidation general role in mediating DNA-binding ability modified proteins. phenotypes, observed from both NTMT1 knockdown breast cancer cell lines knockout mouse models, suggest potential involvement DNA damage response development. In this...
BACKGROUND:Osteoarthritis (OA) is the most common joint disease and characterized by progressive degeneration of articular cartilage. The molecular basis OA involves various factors has not been fully clarified. Autophagy a conserved catabolic process that cellular degradation through lysosomal machinery. MATERIAL AND METHODS:We found miRNA-411 regulates chondrocyte autophagy in targeting hypoxia-inducible factor 1 alpha (HIF-1α) identified related mechanism. condition C28/I2 cells was...
Hepatic lipotoxicity, resulting from excessive lipid accumulation in hepatocytes, plays a central role the pathogenesis of various metabolic liver diseases. Despite recent progress, precise mechanisms remain incompletely understood. Employing exposure to palmitate hepatocytes as our primary experimental model and mice studies, we aimed uncover behind hepatic thereby developing potential treatments. Our data reveal for first time that leads downregulated expression poly(ADP-ribose) polymerase...
Anti-double-stranded DNA (anti-dsDNA) antibodies at abnormal titer are of considerable diagnostic value for systemic lupus erythematosus (SLE). Current assays detecting anti-dsDNA show divergent properties, emphasizing the importance selecting suitable assays. This study aims to investigate performance indirect immunofluorescence (IIF), digital liquid chip method (DLCM), chemiluminescence immunoassay (CLIA), and their combinations in SLE. We conducted a retrospective, single-center from 2022...
Model beta-hairpin peptides can be used to develop understanding of fundamental elements beta-sheet secondary structure formation and stability. We have studied two 13C-labeled variants a peptide modified from design originally proposed by Gellman: Arg-Tyr-Val-Glu-Val-Aib-Gly-Lys-Lys-Ile-Leu-Gln. (In this peptide, the italicized residues form beta-turn, while 13C-labels are on amide C=O Val3, Lys8 in HBG-L Ile10 HBG-S.) Both these labeled opposite strands hairpin, but differ labeling...
By using structure-based drug design and isosteric replacement, diarylaniline 1,5-diarylbenzene-1,2-diamine derivatives were synthesized evaluated against wild type HIV-1 drug-resistant viral strains, resulting in the discovery of as a distinct class next-generation non-nucleoside reverse transcriptase inhibitor (NNRTI) agents. The most promising compound 37 showed significant EC50 values 0.003−0.032 μM wild-type strains 0.005−0.604 several strains. Current results also revealed important...
We report a novel strategy for creating abiotic Bacillus thuringiensis (Bt) protein affinity ligands by biomimicry of the recognition process that takes place between Bt Cry1Ab/Ac proteins and insect receptor cadherin-like Bt-R1 proteins. Guided this strategy, library synthetic polymer nanoparticles (NPs) was prepared screened binding to three epitopes 280FRGSAQGIEGS290, 368RRPFNIGINNQQ379 436FRSGFSNSSVSIIR449 located in loop α8, 2 3 domain II A negatively charged hydrophilic nanoparticle...
Protein N-terminal methyltransferase 1 (NTMT1) plays an important role in regulating mitosis and DNA repair. Here, we describe the discovery of a potent NTMT1 bisubstrate inhibitor 4 (IC50 = 35 ± 2 nM) that exhibits greater than 100-fold selectivity against panel methyltransferases. We also report first crystal structure complex with inhibitor, which revealed occupies substrate cofactor binding sites NTMT1.
Abstract We synthesized by solution methods a water‐soluble, terminally blocked heptapeptide based on five markedly helicogenic, C α ‐tetrasubstituted α‐amino acids ‐methyl‐ L ‐norvalines and two strongly hydrophilic 2‐amino‐3‐[1‐(1,4,7‐triazacyclononane)]‐ ‐propanoic acid residues at positions 2 5. A Fourier transform infrared absorption NMR analysis in deuterated chloroform aqueous solutions of the side‐chain protected synthetic precursors confirmed our working hypothesis that all...
Isotope-edited IR spectroscopy was used to study a series of singly and doubly 13CO-labeled β-hairpin peptides stabilized by an Aib-Gly turn sequence. The double-labeled have amide I' spectra that show different degrees vibrational coupling between the 13C-labeled amides due variations in local geometry peptide structure. single-labeled provide controls determine frequencies characteristic diagonal force field (FF) contributions at each position for uncoupled 13CO modes. Separation FF...