Preset3
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1) The document discusses using protein structures as targets for ligand design in drug development. It provides examples of targeting matrix metalloproteinase 9 (MMP9), cellulases, and a serine protease from fire ants. 2) Specific protein structures discussed include truncated forms of MMP9, cellulases from Aspergillus niger and a wood-eating termite, and a C3 serine protease from fire ants. Key structural features of these proteins are highlighted. 3) Structure-based drug design is discussed as a method to use determined protein structures to identify small molecule ligands through docking simulations and molecular dynamics calculations.
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Seminar delivered by Dr Gary Kerr at the University of Dundee on 13 Feb 2013 on meiotic nuclear divisions in budding yeast require PP2ACdc55-mediated antagonism of Net1 phosphorylation by Cdk
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This document discusses several studies on the relationship between stenosis severity and risks of coronary occlusion and acute coronary syndrome:
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3) Inhibition of NF-kB reduces inflammatory molecule expression and attenuates atherosclerosis in mice.
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This study examined the accumulation of superparamagnetic iron oxide (SPIO) nanoparticles in vulnerable atherosclerotic plaques. In vitro experiments demonstrated that human macrophages actively take up fluorescent-labeled SPIO particles over 24 hours in a time- and concentration-dependent manner. In vivo studies in mice and rabbit models of atherosclerosis found SPIO particles in macrophage-rich areas of plaques, with a strong correlation between iron staining and foam cell density. Cytokine treatment increased SPIO uptake in plaques. The results suggest MRI using SPIO has potential for noninvasively assessing monocyte recruitment in vulnerable plaques.
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2. Mutations in GBE1 cause APBD. Wyatt purified several GBE1 mutants to characterize, including Y329S, and determined the Y329 site is disrupted in the mutant structure.
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Uploaded file 130063321946083603
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2. They expressed the fusion protein in E. coli and tested various purification methods, finding that rapid purification using silica nanoparticles was more effective than silica gel or IMAC.
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Scd
1) Out-of-hospital sudden cardiac death (SCD) remains a major public health challenge, with over 400,000 cases per year in the United States.
2) While there is evidence of slight declines in pre-hospital delay times and more in-hospital treatment, over 60% of cardiac deaths continue to be sudden and outside of a hospital setting.
3) Improving early recognition of heart attack symptoms and rapid intervention through public health initiatives focused on out-of-hospital screening and treatment of patients with cardiac chest discomfort could help reduce the number of sudden cardiac deaths.
091 vascular dysfunction in hypercholesterolemic rabbits
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This document discusses the use of coronary CT angiography (CTA) to detect and characterize coronary atherosclerosis beyond just detecting coronary stenoses. CTA can identify calcified plaques, non-calcified plaques, and mixed plaques. It can detect atheromas and characterize plaque density. CTA can also identify intracoronary thrombi and myocardial infarction scars. The document outlines the CTA scanning parameters and techniques used to minimize motion artifacts and optimize image quality for plaque detection and characterization.
Taylor.aeha cac imt progression talk.1
This document discusses using measurements of carotid intima-media thickness (CIMT) and coronary artery calcium (CAC) to monitor atherosclerosis and cardiovascular risk. It finds that progression in these measures is associated with increased risk of cardiovascular events. However, accurately detecting progression with CIMT is challenging due to measurement reproducibility. While CAC progression over 15% per year also indicates higher risk, determinants are uncertain and statins may paradoxically increase CAC while reducing events. More research is still needed to clarify using progression of atherosclerosis to monitor risk.
Recent results and findings.
A 71-year-old man with a history of diabetes, coronary artery disease status post myocardial infarction times three, and hypercholesterolemia was found to have an accidental left carotid stenosis and was scheduled for a left carotid endarterectomy. MRI of the carotid arteries was performed using SPIO contrast to better evaluate the extent of disease prior to surgery.
Vascular interventions atalar- johns hopkins
This document discusses vascular interventions guided by MRI, including:
1) Early experiments with intravascular MRI to image arteries and plaques.
2) The technical challenges of MRI-guided balloon angioplasty and stent placement, such as developing MRI-compatible devices and monitoring procedures.
3) Examples of MRI-guided balloon angioplasty, stent placement, and plaque imaging in human studies.
4) The potential for MRI to guide new treatments like gene therapy delivery to diseased arteries.
Esv2n47
This document discusses the use of C-reactive protein (CRP) and low-density lipoprotein (LDL) cholesterol levels to predict cardiovascular risk. It summarizes a study that found CRP to be a stronger predictor of future cardiovascular events than LDL, with CRP and LDL providing complementary and non-correlated information. The document concludes that measuring both CRP and LDL provides superior risk detection compared to either marker alone, and that patients with high CRP but low LDL (<160 mg/dl) should be considered at increased risk.
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2) The triplex stability for 5-Me-dC-N4-(spermine) ODNs decreases with decreasing pH, in contrast to unmodified ODNs whose stability increases under acidic conditions
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This document summarizes research on developing polyrotaxane-based macromolecules as potential therapeutics for Niemann-Pick type C disease. Key points:
1) Polyrotaxanes consisting of 2-hydroxypropyl-β-cyclodextrin threaded onto Pluronic copolymers were synthesized to improve drug persistence and reduce required dosages.
2) Incorporating sulfobutyl ether-β-cyclodextrin improved water solubility.
3) The polyrotaxanes showed potential as MRI contrast agents by providing over 100-fold vascular enhancement compared to monomeric controls, circulating over 30 minutes with high relaxivity.
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This document discusses developing an artificial intelligence system to predict short-term cardiovascular disease (CVD) events. The goal is to eradicate unexpected heart attacks by predicting risk similar to hurricane forecasts. Existing studies are cited that show over 50% of heart attacks are first symptoms of underlying disease. The document outlines previous work by SHAPE to define vulnerable patients and release guidelines. It proposes using machine learning on existing cohort data to develop algorithms predicting heart attacks within 12 months, and validate the system. The hope is this can trigger preventative actions and add over 10 years to life expectancy. Funding is needed to implement the proposed "Machine Learning Vulnerable Patient Project".AHA SHAPE Symposium 2017 Dr. Kloner Presentation
Triggers of cardiovascular events can include physical and emotional stress. Stress from events like earthquakes, blizzards, intense sporting games, and overexertion from activities like snow shoveling have been shown to increase the risk of acute cardiovascular outcomes like myocardial infarction. While modern therapies have improved cardiovascular health, research continues to show temporary increases in cardiovascular mortality associated with highly emotional sporting events even in recent years. Managing risk factors, reducing stress, and utilizing preventative therapies may help reduce the impact of triggers on cardiovascular health.
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The document introduces the All of Us Research Program, which aims to collect health data from one million Americans to advance precision medicine research. It was announced by President Obama in 2015. The program receives funding from the federal government and private partners. It collects various types of health data from participants through surveys, health records, samples, and devices. The data is stored and shared securely while protecting privacy. The goal is to generate new medical discoveries and more personalized healthcare through collaboration between researchers and participants.AHA SHAPE Symposium 2017 Dr. Yen Presentation
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Vulnerable plaque refers to dangerous forms of atherosclerotic plaques that can rupture or induce thrombosis, disrupting blood flow. The document discusses the history and research around vulnerable plaque, including pioneers in the field and emerging techniques to detect vulnerable plaque such as intravascular ultrasound, optical coherence tomography, and magnetic resonance imaging. It summarizes that vulnerable plaques are typically characterized by a thin fibrous cap, large lipid core, and presence of macrophages.
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This document contains a summary of a presentation on vulnerable patient syndrome. It includes PowerPoint slides and videos on defining and identifying vulnerable plaques and patients. It thanks sponsors for their support of the educational event. The slides define vulnerable plaques as those likely to rupture in the future, causing heart attacks, and provide criteria for identifying them based on morphology and activity. Biomarkers and conditions that increase plaque and myocardial vulnerability are also summarized. The presentation outlines a pyramid approach for screening, diagnosing, and treating vulnerable patients annually to help reduce heart attacks and their high costs.
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This document discusses triggers for sudden cardiac arrest (SCA) and death (SCD). It notes that over 2/3 of SCD cases are unable to be predicted due to a lack of well-established risk factors. While population risk factors can identify at-risk groups, they cannot predict risk for individuals. The document explores various biological, anatomical, and environmental factors that can precipitate fatal arrhythmias and discusses how the timing of transient initiating events is critical for the development of ventricular tachyarrhythmias. It emphasizes that myocardial electrophysiological processes likely determine the onset or lack of VT/VF/SCD and that immediate access to automated external defibrillators is needed to save lives.
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This document summarizes presentations from symposia on vulnerable plaque and discusses the relationship between plaque, blood, and patients in atherothrombosis. It notes that multiple factors like diabetes, smoking, and hyperlipidemia can make blood more thrombogenic and moderate the severity of acute events after plaque rupture. Statins, aspirin, and other drugs that target tissue factor or thrombin pathways may be promising antithrombotic agents by inhibiting thrombosis initiation and propagation.
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The document discusses vulnerable plaque and challenges in detecting and treating it. It describes various imaging techniques for detecting vulnerable plaque such as thermography, MRI, CT angiography, and optical coherence tomography. However, it notes that while these can identify high-risk features, it remains unclear what exactly defines vulnerable plaque and whether imaging findings truly correlate with risk. The document also notes that while statins reduce events, the relationship between plaque burden and events is unclear, and better defining and detecting the disease is still needed before new therapies can be developed.
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1) The study examined 92 hearts from patients with severe coronary artery disease who died suddenly. The hearts were sectioned and plaque types were classified.
2) The number of "vulnerable" plaques, particularly thin cap atheromas, was highest in hearts of patients who died from acute plaque rupture and lowest in those with incidental disease.
3) Thin cap atheromas and other unstable plaque types were concentrated in the proximal coronary segments, similar to the distribution of plaque ruptures. The study suggests vulnerable plaques contribute to acute coronary syndromes and are non-uniformly distributed within the coronary arteries.
Vp watch editorial_slide 25short-
1) Drug-coated stents, particularly those coated with sirolimus, have shown promise in reducing restenosis compared to bare metal stents. Sirolimus inhibits cell proliferation and has been shown in studies to reduce intimal hyperplasia and restenosis in animal models by 50% or more.
2) A study by Suzuki et al. found that a sirolimus-coated stent reduced restenosis by 50% through inhibiting cellular proliferation in a dose-dependent manner compared to a bare metal stent. Adding dexamethasone to the coating did not provide additional benefit.
3) If results of the RAVEL clinical trial showing "zero" restenosis out to 5 years
Vp watch editorial_slide25
This document discusses drug-coated stents for preventing restenosis. It summarizes a study showing that stents coated with sirolimus via a polymer matrix reduced restenosis by 50% by inhibiting cell proliferation. Adding dexamethasone provided no additional benefit. Other studies also showed sirolimus inhibits smooth muscle cell proliferation. If results of the RAVEL trial showing "zero" restenosis at 210 days hold true long-term, sirolimus-coated stents may become the standard therapy for coronary revascularization. Questions are raised about whether coating vulnerable plaques could be a primary treatment and if multiple vulnerable plaques would all be stented.
Vp watch editorial_slide25short-
1) Drug-coated stents, particularly those coated with sirolimus, have shown promise in reducing restenosis compared to bare metal stents. Sirolimus inhibits cell proliferation and has been shown in studies to reduce intimal hyperplasia and restenosis in animal models by 50% or more.
2) A study by Suzuki et al. found that a sirolimus-coated stent reduced restenosis by 50% through inhibiting cellular proliferation in a dose-dependent manner compared to a bare metal stent. Adding dexamethasone to the coating did not provide additional benefit.
3) If results of the RAVEL clinical trial showing "zero" restenosis out to 5 years
Vp watch2002
I. This document discusses various animal models that have been used to study atherosclerosis and plaque rupture, including quail, pigeons, chickens, dogs, monkeys, pigs, rats, rabbits, and mice. It provides details on the types of lesions developed and similarities to human disease for each model.
II. The double knockout LDL/apoE mice are highlighted as offering improvements in studying clinical complications of atherosclerosis like human heart disease. However, it is unclear how closely they model vulnerable plaques.
III. Questions are raised about how closely the coagulation systems of these animal models resemble humans and whether any model fully captures repeated plaque ruptures and the role of aging in natural history as seen in humans.
Vp symposium31602
Trans-Blood Vision is a patented infrared technique that uses short-wave infrared wavelengths to see directly through blood. It has the potential to find vulnerable plaque lesions without first entering them, determine their size and surface characteristics in high resolution, and look at their material constituents both on and below the surface. While it cannot provide direct visual guidance for therapy or penetrate as deeply as ultrasound, combining it with augmentative technologies could allow for real-time multi-mode detection, analysis, and therapy guidance of vulnerable plaque lesions. The document concludes that Trans-Blood Vision warrants significant investigation, possibly in combination with other emerging technologies.
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This study used intravascular ultrasound to examine arterial remodeling and plaque characteristics in 131 patients with either stable angina or recent unstable symptoms. Patients with unstable presentations had greater plaque burden at the culprit lesion despite similar luminal narrowing, and a greater extent of positive arterial remodeling compared to those with stable angina. The culprit lesions in unstable patients also showed a higher rate of echolucent plaque morphology. This suggests that bulky, remodeled plaques may be more vulnerable to rupture, leading to acute coronary syndromes. Further prospective study is needed to better understand the relationship between clinical presentation and plaque features.
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Preset3
- 2. PROTEIN STRUCTURE AS A TARGET FOR LIGAND DESIGN
- 3. Finding the target Crystallography Pre-clinical trials, Clinical trials Protein structure Drug Development Diagram Synthesis and testing Available compound or lead compounds, substrates Protein structure Lead Improvement
- 4. Biological problem Target Structure of target (MMP9, Cellulase, Chymotrypsin) Proteins as a target
- 5. Matrix Metalloproteinase-9 - Zinc-dependent metalloproteinase - Degrades Extracellular matrix components Signal domain Fibronectin-like domain Propeptide Hinge region Hemopexin-like domain Zn2+ Catalytic domain 92 kD
- 6. - Physiological Conditions : - Tissue remodelling, wound healing, angiogenesis - Pathological Conditions : - Cancer metastasis, cardiovascular aneurysms and rupture MMP9 IMPORTANCE
- 8. Peter Carmeliet, (2000) J Clin Invest 105(11) 1519-1520 MMPs in cardiovascular aneurysms and rupture
- 9. Purification of truncated form of MMP-9 Expression in E. Coli Inclusion body Expression using Baculovirus system Zn2+ S P C F
- 10. Load Wash 0.1-2.0M NaCl Heparin-Sepharose column
- 12. Characterization of truncated form of MMP-9 - TIMP-1 binds and inhibits the catalytic domain - Fibronectin-like domain is not sufficient for heparin binding Zn2+ C F ~38kD Sadatmansoori, S (2001) protein expression and purification 23(3) 447-452.
- 13. The STRUCTURE OF CELLULASES FROM THE FUNGUS ASPERGILLUS NIGER
- 14. Problem : Cellulase producing fungi destroying cellulose-based materials. Target : Cellulase from Fungus Aspergillus niger. Cellulase as a Target
- 15. Ribbon Stereo Diagram of EglA
- 16. The Binding Cleft of EglA
- 18. Pd2+ Glu 116 Glu 204 Met 118
- 19. The STRUCTURE OF CELLULASES FROM A WOOD- EATING TERMITE
- 20. The problem: Termite - $1 billion damage a year! - 1000 lbs wood a year! - $15 million effort a year - Inhibition of digestive enzymes - The best choice is Cellulase.
- 21. NtEgl Crystals Initial crystals Final crystal
- 22. Ribbon Representation of NtEgl
- 23. Surface potential of NtEgl
- 24. W253 F205 D57 D54 W301 E412 Y408 W127 R361 H124 H359 Y417 Ca2+ W516 N-RE RE The Binding Cleft of NtEgl
- 25. D210 D213 E214 D254 N252 Water Water Ca2+ The Ca2+ Binding Site of NtEgl at pH 5.6
- 26. D213 E214 D210 D254 N252 The Ca2+ Binding Site of NtEgl at pH 2.5
- 27. H359 A55 Y417 Y408 Catalytic Acid/Base Glu 412 at pH 5.6 and 6.5
- 28. The STRUCTURE OF A SERINE PROTEASE FROM FIRE ANT
- 29. The Problem: fire ant
- 31. Asp 102 His 57 Ser 195 PMS
- 32. - C3 - Cymotrypsine - Trypsine - Elastase - Collagenase
- 33. 182 195 214 228 - Chymotrypsin CAG-ASGV-SSCMGDS … SWGSST-CS-TSTPGVY - Trypsin CVGFLEGGKDSCQGDS … SWGYG--CALPDNPGVY - Elastase CAGGDG-VRSGCQGDS … SFVSRLGCNVTRKPTVE - Collagenase CID-STGGKGTCDGDS … SFGAAAGCEA-GYPDAE - C3 CANDPSAQKGACKGDS … SW--SLDCALTTHPTVY Asp 102 His 57 Ser 195PMS Ser 217
- 34. Asp 102 His 57 Ser 195 PMS IPS
- 36. Structure-Based Drug Design Protein structure Small molecule database Docking Protein structure Crystallography Molecular Mechanics Dynamics calculations Protein structure
- 37. Touching Molecules: force feedback as an aid to docking
- 38. Acknowledgement -Dr. Edgar Meyer - Dr. Linda A. Guarino - Dr. Hirofumi Watanabe - Dr. Arnold Wartenberg - Dr. Sepideh Sadatmansoori - Dr. Reza Forough - Dr. Erik Meyer - Dr. Stanley and Rosemarie Swanson - Robert A. Welch Foundation - Texas Advanced Technology Program