DRUG DISCOVERY docx
... of practical medicine and natural science The chemotherapy, hormonal therapy, immunotherapy and radiotherapy as the methods of cancer treatment joined to the oldest surgical one only in the 20th ... discovery is the search for the possibil‐ ities to influence the pathogenetic mechanisms specific of the tumour structures at the cellular and molecular levels, which require the knowledge of cancer ... watercress, broccoli, and kale) and the genus Raphanus (radishes and daikons) may have pharmacological and toxicological implications in humans Watercress is another important member of the cruciferous...
Ngày tải lên: 29/03/2014, 21:20
... fact, there’s a chance that neither will, considering the rise of a dark-horse challenger: the cryptically named 802.11b The standard, developed by the Institute of Electrical and Electronic Engineers ... will— and told the public: Give it your best shot See if you can crash the system The goal of Mange and his team is to instill electronic circuits with the ability to take a lickin’ and keep on tickin’— ... down, and its left and right neighbors become directly connected The right neighbor recalculates its position and starts executing the deceased’s program Its tasks, in turn, are taken up by the...
Ngày tải lên: 12/05/2014, 16:09
... Whether, when, and how a molecule may acquire the status of a drug or a medicine is investigated and decided by, among others, toxicologists, pharmacists, and clinicians and is therefore explicitly outside ... in this chapter BASIC PRINCIPLES OF MOLECULAR MECHANICS Empirical force-eld methodology is based on classical mechanics and on the fundamental assumption that the total steric energy of a structure ... Electrostatics in biomolecular structure and dynamics Chem Rev 1990; 90 :509 524 56 Still WC, Tempczyk A, Hawley RC, Hendrickson T Semianalytical treatment of solvation for molecular mechanics and...
Ngày tải lên: 12/05/2014, 17:28
fragment based drug discovery and x-ray crystallography
... chip and 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 ... reveal the difference electron density associated with the bound ligand The electron density is then interpreted, fitted, and the complex further refined to give the final protein–ligand structure The ... called The maximal affinity of ligands,” in which they analyzed the binding data of about 150 natural and synthetic ligands to a number of proteins [80] By plotting the binding energy against the...
Ngày tải lên: 29/05/2014, 23:54
DRUG DISCOVERY RESEARCH IN PHARMACOGNOSY ppt
... of analysis and its generally economical; MECC- micellar electrokinetic capillary chromatography, this is when the capillary electrophoresis is in conjunction with electrochemical detections usually ... economic and industrial purposes Current methods and techniques utilize highthroughput applications on genomic modifications by homologous and recombinations at specific sites It applies basic principles ... identify the plant The composition and Analytical Evaluation of Herbal Drugs 33 relative concentration of the organic compounds in the volatile oil are characteristic of the particular plant and the...
Ngày tải lên: 27/06/2014, 10:20
DRUG DISCOVERY AND DEVELOPMENT – PRESENT AND FUTURE pptx
... to specific sites in the body These effects can help improve efficacy and decrease toxicity of drugs Furthermore, specific forms of nanoparticles, in addition to serving as drug delivery vehicles, ... safety, efficacy, and pharmacokinetic profile) selection and optimization Preclinical (non clinical) efficacy, pharmacology, toxicology, and mechanistic studies may include in silico (computational) ... chemical origin of most of the medicines Thus majority of drugs in current practice are from synthetic origin Even so, a large number of these synthetic molecules are based directly or indirectly...
Ngày tải lên: 27/06/2014, 17:20
In silico drug discovery on computational Grids for finding novel drugs against neglected diseases
... silico drug discovery and descriptions of the general molecular dynamics simulations techniques are given in detail The theory behind the molecular mechanics, molecular dynamics simulations and ... docking and molecular dynamics application or any other biomedical application efficiently on a Grid infrastructure This thesis mainly deals with the biological goals of the WISDOM project The biological ... public sectors and thus both the public and private sectors contribute funds to develop a specific product The collaboration between TDR, the Japanese government, and the Japanese pharmaceutical...
Ngày tải lên: 02/07/2014, 13:13
Báo cáo y học: "Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery" doc
... ligands from ordinary molecules Therefore, the chemical space consisting of ligands and ordinary molecules was charted to reveal the relationship between the ligand distribution patterns in the ... part of the sc-PDB-derived ligands are synthetic, to explore the applicability of the preferential attachment principle to protein-ligand binding, we extracted bio-ligands from the ligand dataset ... explore the chronology of ligand-protein binding and answer the following questions: which ligand was first recognized by a protein and what kind of architecture did the host protein have Nevertheless,...
Ngày tải lên: 14/08/2014, 08:20
Báo cáo y học: "Meeting the challenges of drug discovery: a multidisciplinary re-evaluation of current practices" pptx
... determining the toxicity of potential inhibitors to the chemokine receptor CCR5, a receptor used by the human immunodeficiency virus (HIV) to enter cells Making the right clinical decisions There remains ... clinical trials and, ultimately, more individualized medical care The prospects for both drug-discovery and drug-development scientists and their patients look better and better Precisely how the ... proofof-concept clinical trials Burley and Park 330.3 comment summarized the relative predictability of antisense oligonucleotides as therapeutic agents and their potential to improve efficacy and lower...
Ngày tải lên: 14/08/2014, 14:21
Báo cáo y học: "Digital drug discovery" pot
... precision” as some of the challenges in integrating microarray data into drug development and medicine Investigators at Harvard Medical School and at the National Institute for Standards and Technology ... 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 WiCells from which Kamp prepared the cardiomyocytes ... (which represents the total duration of electrical activity in the ventricles in vivo) can be observed; this occurs as a drug side-effect and resulted in the withdrawal of the allergy medication...
Ngày tải lên: 14/08/2014, 14:22
synthesis of novel heterocycles for drug discovery using radical cascade reactions
Ngày tải lên: 14/11/2014, 06:18
Drug discovery metformin and the control of diabetes
... realised the pharmaceutical potential of the chemical they had made Modern treatment exploration of its protective effects against the adverse metabolic effects of some antipsychotic drugs, which ... found: Chronic toxicity is practically nil Rabbits, rats and dogs treated with the product over six months showed no deterioration in their growth and there was no decrease in their hepatic [liver] ... whilst maintaining the hypoglycaemic effect of the guanidine groups However, they weren’t nontoxic enough Their debilitating effects on the liver led to them being withdrawn in the early 1940s Diabetes...
Ngày tải lên: 12/07/2015, 15:49
In silico methodologies for selection and prioritization of compounds in drug discovery
... molecular shape moments based on the following points within a molecule: the centroid, the closest atom to the centroid, the furthest atom from the centroid and the furthest atom from the furthest ... pharmacophoric and shape based matching techniques for the analysis of the interactions of a corporate database against the enzymatic target In the final part of the thesis, a novel application of the ... important for the allosteric binding The resources and time required for the systematic exploration of the full SAR landscape are often overwhelming and thus not practical Therefore, in the final...
Ngày tải lên: 08/09/2015, 22:12
Chemical and pharmacological studies of ardisia elliptica antiplatelet, anticoagulant activities and multivariate data analysis for drug discovery
... effects The objectives of this study are to investigate the potential antiplatelet and anticoagulant effects of a local medicinal plant, Ardisia elliptica Thunberg and to isolate and identify the ... 21.3 and 10.5 µM for α- and β-amyrin respectively These values indicated that α- and β-amyrin are three and six times more active respectively than aspirin (IC5 0 value= 62.7 µM) Hence, α- xi and ... increasing the concentration of free cytoplasmic calcium via the Gq-coupled P2Y1 receptor and the inhibition of the Gi-coupled P2Y12 receptor, which inhibits adenylyl cyclase Both the receptors...
Ngày tải lên: 10/09/2015, 08:25
Development of database and computational methods for disease detection and drug discovery
... advantage of speed along with the relative simplicity, specific and sensitive detection [39] Molecular detection methods mainly refer to nucleic acid based molecular detection technology It plays a key ... microarray-based detection is considered as the technique of high sensitivity, specificity and throughput because it can integrate nucleic acid amplification and high throughput screening technique Nucleic acid ... target selection, lead compound identification and optimization Since the development of molecular biology and genomics for comprehensive understanding disease mechanism and therapeutic intervention,...
Ngày tải lên: 10/09/2015, 09:04
Biointormatics of targeted therapeutics and applications in drug discovery
... the biological insights of diseases, starts with the identification and validation of targets and then therapeutics directed to the targets are screened, optimized and selected to enter clinical ... predicted to be responsive to a certain drug treatment will receive the drug in the clinical trials, thus decreasing the toxic effects and costs associated with the patients receiving ineffective ... targeted therapeutics The unprecedented development of technological advances and rapid accumulation of knowledge and information in biology and medicine through all fields of the “-omics” and translational...
Ngày tải lên: 12/09/2015, 09:10
Pharmacokinetics pharmacodynamics driven approach for lead optimization in anti mycobacterial and anti malarial drug discovery
... to the midgut of the insect, pass through the gut wall and form the oocysts Meiotic division of the oocysts occurs and sporozoites are formed, which then migrate to the salivary glands of the ... al., 2011) and even cynomolgus monkeys have been used as 11 preclinical models as they mimic the pathogenesis of TB better than mice with features such as hypoxic lesions and solid necrotic granulomas ... limitations Firstly, the plasmodia species can differ significantly in their degree of infection, lethality and synchronicity which could affect the results compared to human plasmodia species (Fidock...
Ngày tải lên: 22/09/2015, 15:17
Implementation of a drug discovery tool for the evaluation of anti fibrotic compounds application in fibrovascular disorders
... the background and significance of the project is covered in the first section The second section presents the objectives of the project and the outline of the report 1.1 Project background and ... macromolecules bind to one another, which leads to a decrease in the total free energy of the solution The more solute molecules present in a solution and the larger they are, the less randomly they ... is the major component of the ECM and the most abundant protein in human body Collagen fibrils play an important role in maintaining the mechanical strength in tissues and define the shape and...
Ngày tải lên: 09/10/2015, 11:07