A5084264345- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Glycosylation and Glycoproteins Research
- Crystallography and molecular interactions
- Monoclonal and Polyclonal Antibodies Research
- Galectins and Cancer Biology
- Carbohydrate Chemistry and Synthesis
- Abdominal Trauma and Injuries
- Enzyme Structure and Function
- Enzyme Production and Characterization
- Trauma and Emergency Care Studies
- Trauma Management and Diagnosis
- Crystal structures of chemical compounds
- Free Radicals and Antioxidants
- Dyeing and Modifying Textile Fibers
- Drug Transport and Resistance Mechanisms
- Microbial Metabolites in Food Biotechnology
- Photochemistry and Electron Transfer Studies
- Protein Structure and Dynamics
- Radical Photochemical Reactions
- Neuropeptides and Animal Physiology
- Drug Solubulity and Delivery Systems
- Inorganic Fluorides and Related Compounds
- S100 Proteins and Annexins
- Pigment Synthesis and Properties
University of Chicago
2025
Emory University
2021-2024
The University of Sydney
2015-2024
University of Chicago Medical Center
2023
MedStar Washington Hospital Center
2022
University of Maryland, Baltimore
2020-2021
Georgetown University
2021
Bacterial pathogens have evolved intricate mechanisms to evade the human immune system, including production of immunomodulatory enzymes. Streptococcus pyogenes serotypes secrete two multi-modular endo-β-N-acetylglucosaminidases, EndoS and EndoS2, that specifically deglycosylate conserved N-glycan at Asn297 on IgG Fc, disabling antibody-mediated effector functions. Amongst thousands known carbohydrate-active enzymes, EndoS2 represent just a handful enzymes are specific protein portion...
Abstract The human gut microbiota plays a central role not only in regulating the metabolism of nutrients but also promoting immune homeostasis, responses and protection against pathogen colonization. genome Gram-negative symbiont Bacteroides thetaiotaomicron , dominant member intestinal microbiota, encodes polysaccharide utilization loci PULs, apparatus required to orchestrate degradation specific glycan. EndoBT-3987 is key endo-β- N -acetylglucosaminidase (ENGase) that initiates...
In 1960, Hong and Schubert reported a case series of percutaneous liver biopsies in children using the Menghini needle.[1] Since that time despite advances noninvasive diagnostic measures, biopsy (LB) retains an important role evaluation with disease.[2] Traditionally, pediatric were performed by gastroenterologists without imaging guidance. Today, most are interventional radiologists guidance.[3] This article reviews nontargeted LB children, both transjugular, attention to technical...
Bacteroidales (syn. Bacteroidetes) are prominent members of the human gastrointestinal ecosystem mainly due to their efficient glycan-degrading machinery, organized into gene clusters known as polysaccharide utilization loci (PULs). A single PUL was reported for catabolism high-mannose (HM) N-glycan glyco-polypeptides in gut symbiont Bacteroides thetaiotaomicron, encoding a surface endo-β-N-acetylglucosaminidase (ENGase), BT3987. Here, we discover an ENGase from GH18 family B. BT1285,...
Abstract Bacteria produce a remarkably diverse range of glycoside hydrolases to metabolize glycans from the environment as primary source nutrients, and promote colonization infection host. Here we focus on EndoE, multi-modular hydrolase secreted by Enterococcus faecalis , one leading causes healthcare-associated infections. We provide X-ray crystal structures which show an architecture composed four domains, including GH18 GH20 connected two consecutive three α-helical bundles. determine...
Experimental charge density distribution studies complemented by quantum mechanical theoretical calculations of 4-hydroxybenzoic acid (4HBA) (1), 4,4′-bipyridine (44BP) (2), and one polymorphic form the cocrystal containing 4HBA 44BP molecules in a 2:1 ratio (3), have been carried out via high resolution single-crystal X-ray diffraction. Synthon formation was found to be main driving force for crystallization both (1) (3) with carboxylic homosynthon present heterosynthon comprised from...
We present the case of a 25-year-old woman with desmoplakin cardiomyopathy-related myocarditis. Her high-sensitivity troponin and symptoms improved pulse steroid therapy mycophenolate mofetil. The literature lacks data to effectively guide management recurrent myocarditis in cardiomyopathy. (Level Difficulty: Advanced.).
Abstract Immunoglobulin G (IgG) antibodies contain a complex N -glycan embedded in the hydrophobic pocket between its heavy chain protomers. This glycan contributes to structural organization of Fc domain and determines specificity for Fcγ receptors, thereby dictating distinct cellular responses. The variable construction this structure leads highly-related, but non-equivalent glycoproteins known as glycoforms. We previously reported synthetic nanobodies that distinguish IgG Here, we present...
Experimental and theoretical charge density of piroxicam, saccharin their 1 : co-crystal have been determined using high-resolution X-ray diffraction, multipole refinement DFT calculations
Experimental charge density distribution studies of two polymorphic forms piroxicam, β-piroxicam (1) and piroxicam monohydrate (2), were carried out via high-resolution single crystal X-ray diffraction experiments multipole refinement. The asymmetric unit (2) consists discrete molecules, (2a) (2b), water molecules. Geometry differs between due to the zwitterionic nature which results in rotation pyridine ring around C(10)-N(2) bond by approximately 180°. Consequently, amide are no longer...
Development of neuroinflammation agents targeting the translocator protein (TSPO) has been hindered by a common single nucleotide polymorphism (A147T) at which TSPO ligands commonly lose affinity. To this end, carbazole acetamide scaffolds were synthesized and structure activity relationships elaborated to explore requirements for high-affinity binding both wild type (WT) polymorphic A147T. This study reports high affinity nondiscriminating ligands.
In this study, the 1:1 cocrystal of theophylline and malonic acid originally engineered by Trask undergoes charge density analysis to rationalise chemical change process seen throughout crystallisation.
The charge density distribution in 2,2′-dihydroxy-1,1′-naphthalazine (Pigment Yellow 101; P.Y.101) has been determined using high-resolution X-ray diffraction and multipole refinement, along with functional theory calculations.
Carbamazepine (CBZ) is used in the treatment of multiple neurological conditions. Although efficacious, its potential has been limited by poor solubility, which means that patients are required to take very large doses gain desired effect. Co-crystals have proposed as a improving physicochemical properties pharmaceutical compounds while maintaining their efficacy. CBZ cocrystallized with saccharin (SAC) and nicotinamide (NIC) previously studied, CBZ-SAC crystal being more soluble than...
N-glycosylation is one of the most abundant posttranslational modifications proteins, essential for many physiological processes, including protein folding, stability, oligomerization and aggregation, molecular recognition events. Defects in pathway cause diseases that are classified as congenital disorders glycosylation. The ability to manipulate critical not only our fundamental understanding biology but also development new drugs a wide range human diseases. Chemoenzymatic synthesis using...
The charge density distribution in a novel cocrystal (1) complex of 1,3-dimethylxanthine (theophylline) and propanedioic acid (malonic acid) has been determined. molecules crystallize the triclinic, centrosymmetric space group P1̅, with four independent (Z = 4) asymmetric unit (two each theophylline malonic acid). Theophylline notably high hygroscopic nature, numerous cocrystals have shown significant improvement stability to humidity. A study polymorph identified interesting theoretical...
Paracetamol (PCM) has two well-documented polymorphic forms at room temperature; monoclinic Form I is more stable than the other orthorhombic II. II exhibits improved tabletting properties compared to due low shearing forces; however, difficulties in its manufacture have limited use industrial manufacture. Previous studies found that introduction of a co-former form co-crystals would allow PCM molecule exist conformation similar while being temperature. Experimental charge density analysis...
Antibodies bind foreign antigens with high affinity and specificity leading to their neutralization and/or clearance by the immune system. The conserved N-glycan on IgG has significant impact antibody effector function, endoglycosidases of Streptococcus pyogen es deglycosylating evade system, a process catalyzed endoglycosidase EndoS2. Studies have shown that two four domains EndoS2, carbohydrate binding module (CBM) glycoside hydrolase (GH) domain are critical for catalytic activity. To...