society apos s response to the problem of abuse
DRUG DISCOVERY docx
... insensitivity to inhibitors of growth, unlimited potential for replication (reactivation of telomerase), invasiveness, the ability to metastasis and to sustain angiogenesis, and resistance of apoptosis [13] ... as Paracelsus suggested that the “wasting disease of miners” might be linked to exposure to realgar (tetra-arsenic tetra-sulphide) Since the 17th c cancer was associated with the presence of some ... origins of cancer and predicted the existence of tumor suppressor genes that can suppress cancer cell growth It was later discovered that both classes of genes proto-oncogenes and tumor-suppressor...
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scientific american - 2001 08 - cyber cells - simulating life for drug discovery
... with the same relative strength no matter their size— the small ones seem to be strongest on certain scales known as peaks The size and strength of these peaks allow cosmologists to get at the ... modulator through which the light passes The modulator imprints a phase shift (that is, it moves the positions of the peaks and troughs of the light wave) on just one of the 50 bands In essence, ... chromosomes Because each chromosome hosts thousands of genes, aneuploidy creates massive genetic chaos inside the cell The cell becomes essentially a whole new species unto itself,” Duesberg says...
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computational medicinal chemistry for drug discovery - p. bultinck, et al., (marcel dekker, 2004)
... structural classes of compounds in terms of mean absolute errors The performance of the force elds for particular classes of compounds is discussed in the following sections Fig also includes the overall ... visualization of the theoretical results Indeed, it was discouraging to discuss theoretical results with a suspicious chemist on the basis of pages and pages of computer output This obstacle was dramatically ... extended to systems with up to a few hundred atoms (see other chapters of this book) Nevertheless, there is still a need for simpler methods that are able to treat problems that are beyond the capabilities...
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fragment based drug discovery and x-ray crystallography
... whole The most significant developments of the last 5–10 years are presented, using selected examples to illustrate the principles discussed A description of the laboratory procedures involved is often ... Finally, unusually steep dose response curves can be a tell-tale sign of aggregators [28] Perhaps one reason that fragment-based approaches were slow to take off is because of all these problems Aggregation ... ligands are allowed to flow past Ligands that bind to the protein cause changes in the reflectivity properties of the metal that are related to the mass of the ligand and the mass of the protein In some...
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DRUG DISCOVERY RESEARCH IN PHARMACOGNOSY ppt
... (causative factors), purvarupa (prodromal symptoms/ incubatory symptoms), rupa (signs and symptoms), samprapti (pathogenesis) and upashaya (diagnostic tests) Samprapti: The concept of six stages of pathogenesis ... parts of the plant collected, harvest seasons, plant origins (regional status), drying processes and other factors Thus, it seems to be necessary to determine most of the phytochemical constituents ... impact of our publications Notice Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher No responsibility...
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DRUG DISCOVERY AND DEVELOPMENT – PRESENT AND FUTURE pptx
... ancient Vedic science (Patwardhan & Mashelkar 2009) Discussion on all these aspects is beyond the scope of this book chapter Ayurveda, as a system of medicine, is one of the official systems of medicine ... Negative selection indicates a fitness cost to non-synonymous substitutions Furthermore, the lower the ω value, the stronger the stabilizing pressure as fewer and fewer non-synonymous substitutions ... impact of our publications Notice Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher No responsibility...
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In silico drug discovery on computational Grids for finding novel drugs against neglected diseases
... neglected diseases, adapted from [1, 2] The Table illustrates some of the most worst tropical diseases of the world, organism responsible for the disease, scope of the disease and therapy needs Chapter ... Schematic representation of state -of- art -the of neglected diseases The Figure demonstrates that diseases have been segmented into neglected diseases and chronic diseases based on the diseases ... drugs, especially for the chronic phases of disease Leishmaniasis Leishmania spp million infections annually Trypanosomiasis (sleeping sickness, Chagas disease) T brucei (sleeping sickness) T...
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Báo cáo y học: "Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery" doc
... on the conclusion of the present study Age assignment for bio-ligands deposited research Descriptor calculation SPSS 13.0 (SPSS Inc., Chicago, IL, USA) was employed to the factor analysis The ... and clays), during which one of the most important missions is to establish the chronology of the important biological events Thanks to the continuing efforts of chemists and biologists, the chronologies ... visualize the diversity of the molecules Factor analysis is widely used to study the patterns of relationship among many dependent variables, with the goal of discovering something about the nature of...
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Báo cáo y học: "Meeting the challenges of drug discovery: a multidisciplinary re-evaluation of current practices" pptx
... proteomic tools to samples from human patients with the aim of establishing tissue- and serum-based markers for both diagnostics and functional classification of disease He described the capture of ... Institute, Boston, USA) described gene-expression profiling of various human cancers combined with gene-set enrichment analyses to detect signatures of disease In addition, he suggested that miRNA signatures ... and use of kidney biomarkers as early predictors of nephrotoxicity Stephen Durham (Bristol-Myers Squibb, Princeton, USA) and James McKim (CeeTox, Kalamazoo, USA) both described the benefits of...
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Báo cáo y học: "Digital drug discovery" pot
... stem cells (hESCs) to differentiate into cardiomyocytes, and have used these cells to screen for drug toxicity and related properties Despite the restrictions on the use of hESCs in the US, the ... asked Marc Salit (NIST) sees NIST s role in this area as developing the tools needed to understand the performance of geneexpression microarrays Such tools are likely to include standards, reference ... integrity of the transcripts for ‘housekeeping’ genes The traditional approaches of metrology - the science of measurement - will be applied to these problems to establish microarray measurements of known...
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Drug discovery metformin and the control of diabetes
... was expensive and some parasites became increasingly resistant to it The supply of the drug – it was imported from Java – was also inconsistent during periods of global unrest By the 193 0s, the ... drugs The symptoms of both forms of diabetes are similar (and include tiredness, extreme thirst and related copious urine production) The onset of type is more insidious, and patients are often ... meals If someone with diabetes takes their insulin but misses their meal, their blood sugar becomes dangerously low, causing a coma If this is prolonged it can have very serious consequences However...
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In silico methodologies for selection and prioritization of compounds in drug discovery
... applications to cell based assay results xii LIST OF TABLES Table 2.1 Datasets used in the analysis and the corresponding assay systems 23 Table 2.2 Fourteen descriptors selected for use in the analysis ... used approach to select compounds of interest from a database of molecules 21, 131-133 Such a search seeks to identify all the molecules in the database that possess the substructure used as the ... unsupervised learning is clustering It is the assignment of a set of input items into subsets (clusters) so that items in the same cluster are 18 CHAPTER similar based on distance measures Distance...
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Chemical and pharmacological studies of ardisia elliptica antiplatelet, anticoagulant activities and multivariate data analysis for drug discovery
... trinitrobenzene sulphonic acid (TNBS)-induced colitis The inhibition of TNBS-induced colitis was related to the local suppression of inflammatory cytokines and COX-2 levels The mechanism was suggested to ... the suspension of the pure form (3.83% vs 0.86%) In conclusion, the results presented in this thesis provide some scientific evidence for the traditional uses of A elliptica Further work is warranted ... traditional screening of drugs from plants has been observed following success stories of discovery of blockbuster drugs from natural sources Examples are such as paclitaxel (Taxol®) from the Pacific Yew...
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Development of database and computational methods for disease detection and drug discovery
... [17] Swine Flu Blastomyces dermatitidis [19] Blastomycosis Candida albicans [20] Thrush Histoplasma capsulatum [21] Histoplasmosis immune system dysfunction Fungi diseases are induced through host ... progress in more extensive applications of SBVS and LBVS tools [69, 111] These problems include 20 the vastness and sparse nature of chemical space needs to be searched, limited availability of ... Mycobacterium tuberculosis, Influenza A virus and SARS virus causing serious fevers and symptoms are laboratory hazards and risks [42, 43] These organisms have severe risks for laboratory worker and...
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Biointormatics of targeted therapeutics and applications in drug discovery
... widely-used disease classification systems for more refined classification of disease subclasses and patient subpopulations responsive to a particular treatment so as to better facilitate the diagnosis, ... There is a need to introduce new access modes based on such widely-used disease classification systems as the International Classification of Diseases (ICD) codes developed by the World Health ... discussed The last chapter summarises all the major findings and merits from the research works described in the previous chapters and future works to further develop the targeted therapeutics...
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Pharmacokinetics pharmacodynamics driven approach for lead optimization in anti mycobacterial and anti malarial drug discovery
... Anopheles mosquitos transmit the parasites to humans The mosquitos inject sporozoites into the bloodstream of the human host These sporozoites reach to the liver and rapidly invade the liver cells ... Drug Resistant xix Chapter Introduction 1.1 Infectious diseases Infectious diseases are caused by pathogenic microorganisms, such as bacteria, viruses, parasites or fungi; the diseases can spread ... is available on PK-PD parameters driving the efficacy of antimalarial class of compounds The third part of this thesis describes the PK-PD relationship for compounds belonging to the class of...
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Implementation of a drug discovery tool for the evaluation of anti fibrotic compounds application in fibrovascular disorders
... macromolecule species becomes smaller and its contribution to the total free energy of the solution increases In other words, the most favored state excludes the least volume to the other macromolecules ... compromise the shape and the mechanical strength of the constructed tissues Furthermore, the amount of procollagen in the culture medium has been quantified to assess the effect of antifibrotic drugs ... form of tissues in which they occur Appropriate mechanical strength is also essential for tissue-engineered constructs, especially when it is intended to resist significant mechanical stresses upon...
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Human embryonic stem cells as a cellular model for osteogenesis in implant testing and drug discovery
... materials, silicone, etc Most of these materials share similar physical properties -strength, resistance to abrasion and corrosions In our daily activities, we place high levels of mechanical stress ... pluripotent stem cells in two folds One, making such cells helps us in research to understand disease mechanisms, drug screening and toxicity studies The other use will be producing customized cells for ... alleviate bone diseases, purmorphamine must be tested for its potential health risks, especially on the viability of living cells MTS assay was used in this study to evaluate the cytotoxicity of purmorphamine...
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