elements atoms molecules and compounds

... and characterized intestinal and hepatic transporters in regards to tissue expression profiles, regulation, mech‐ anisms of transport, substrate and inhibitor profiles, species differences, and ... liver However, they are also present in the large and small intestine, lungs and brain [34] CYP proteins are categorized into families and subfamilies and can metabolize almost any organic xenobiotic ... (GST) and N-acetyltransfer‐ ases (NAT) The conjugation reactions by Phase II drug-metabolizing enzymes increase hydrophilicity and thereby enhance excretion in the bile and/ or the urine and consequent‐...

Ngày tải lên: 29/03/2014, 21:20

... mirror world of righthanded molecules, there is a combination that just does not work as well, and so natural selection ruled the right-handeds out PETER ROSE Knutsford, England HAZEN REPLIES: I ... via Auckland and Singapore It’s hard to tell how far 802.11b and its successors (with different letters and higher speeds, such as 802.11g) can go Critics argue that such systems can’t hand off ... the U.S Patent and Trademark Office, tells SCIENTIFIC AMERICAN about granting exclusive rights to make, sell and use a gene Genes are complex organic molecules, and when you isolate and purify them...

Ngày tải lên: 12/05/2014, 16:09

... member of a drug (ligand) design team, standing on an equal footing with the synthetic chemists, pharmacologists, and others at the beginning of the long and arduous path of ligand creation aimed ... P K Chattaraj, S Nath, and B Maiti 295 12 Transition States and Transition Structures Orlando Acevedo and Jerey D Evanseck 323 13 Molecular Similarity, Quantum Topology, and Shape Paul G Mezey ... exible ligands extracted from experimentally determined ligandprotein complexes and obtained calculated energy dierences between the protein-bound and unbound conformations between and 39.7 kcal/...

Ngày tải lên: 12/05/2014, 17:28

... Davies and Ian J Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening 61 Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey, and Roderick E Hubbard Combining NMR and ... of ligand binding” is normally expressed in kilocalories per mole and the number of heavy atoms refers to the number of non-hydrogen atoms in the ligand Of course, the free energy of ligand binding, ... Potent and Selective BACE-1 Inhibitors Daniel F Wyss, Yu-Sen Wang, Hugh L Eaton, Corey Strickland, Johannes H Voigt, Zhaoning Zhu, and Andrew W Stamford 83 Combining Biophysical Screening and X-Ray...

Ngày tải lên: 29/05/2014, 23:54

... bioactive molecules Preliminary tests and screenings on plant extracts are faster and easily done following standard procedures and methods in manuals and literature They detect the presence and amount ... screening, and standardization Quality control and the standardization of herbal medicines involve several steps The source and quality of raw materials, good agricultural practices and manufacturing ... proteins, fats and oils are utilized as food by man and animals Other chemical compounds in plants apart from these listed above are phytochemical Such compounds usually exert peculiar, unique and specific...

Ngày tải lên: 27/06/2014, 10:20

... drugs and nanoparticles to tumors and sites of inflammation It is our hope that the readers find the book informative and that it stimulates new and innovative ideas to apply to drug discovery and ... and efficient means of bringing safe and effective products to the market Success along the development path hinges on using appropriate and robust models and biomarkers, which are relevant and ... improving the predictivity of efficacy and toxicity, which in turn depends on innovations and having reliable and robust biomarkers and using appropriate tools and methodologies References [1] Azmi...

Ngày tải lên: 27/06/2014, 17:20

... interactions between atoms in protein targets and atoms in potential drug compounds that bind to the proteins This ability to work at high resolution with both proteins and drug compounds makes SBDD ... of protein and ligand, docking algorithms can be divided in types:  Rigid docking: Protein and ligand are considered to be rigid  Semi-flexible docking: protein is fixed and ligand is flexible ... LigandFit [91], a popular docking program from Accelry’s, is based on the Monte Carlo algorithm GA starts with a population of random ligand conformations with random orientations and at random...

Ngày tải lên: 02/07/2014, 13:13

... bonds Molecules, ACD-SC-derived ordinary molecules; Ligands, sc-PDB-derived ligands; Ligands (≤ 3), ligands covering ≤ folds; Ligands (4-9), ligands covering 4-9 folds; Ligands (≥ 10), ligands ... coefficient and rotatable bonds for ordinary molecules, ligands and ligands with different protein-binding potentials Descriptor* PSA Small molecules Average values Standard error Number of molecules Molecules ... metabolism-relevant ligands Click here data file bio-ligands Ligands and theand2 of bio-ligands and binding ATP, ligands Additionalfor file 1ownerships of metabolism-relevantADP and block numbers...

Ngày tải lên: 14/08/2014, 08:20

... genome, has proved a fast and reliable method for producing transgenic mice and rats Related attempts to use lentiviral vectors encoding interfering RNAs to produce ‘lenti-RNAi’ and ‘inducible lenti-RNAi’ ... with predictive pharmacology and toxicology should prove particularly beneficial as academic and industrial efforts drive towards more individualized clinical trials and, ultimately, more individualized ... individualized medical care The prospects for both drug-discovery and drug-development scientists and their patients look better and better Precisely how the pharmaceutical industry is going to...

Ngày tải lên: 14/08/2014, 14:21

... integrating microarray data into drug development and medicine Investigators at Harvard Medical School and at the National Institute for Standards and Technology (NIST, Gaithersburg, USA) are among ... understand and treat human disease He described his vision of extending today’s healthcare paradigm of diagnosis and therapy to include predisposition screening, targeted monitoring, and an emphasis ... bioinformatics and systems biology in drug discovery and medicine holds tremendous promise Vast stores of microarray data and whole-genome scans feed sophisticated digital models of human health and disease...

Ngày tải lên: 14/08/2014, 14:22

Ngày tải lên: 14/11/2014, 06:18

Ngày tải lên: 14/11/2014, 09:52

... decided to work on compounds derived from pyrimidine (4) This was for two reasons Firstly, it was known to be a constituent of nucleic acids and associated enzyme systems Secondly, and perhaps more ... 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 unaware of their ... which can increase both glucose and lipid levels and often increase weight It may also have a role in treating polycystic ovarian syndrome which can cause obesity and infertility References Today,...

Ngày tải lên: 12/07/2015, 15:49

... Dashed lines and circles denote aromatic bonds and atoms respectively Continuous lines and circles denote aliphatic bonds and atoms respectively Curly lines denote any bond type and the question ... validation and test sets selected by the scoring scheme Dashed lines and circles denote aromatic bonds and atoms respectively Continuous lines and circles denote aliphatic bonds and atoms respectively ... validation and test sets selected by the scoring scheme Dashed lines and circles denote aromatic bonds and atoms respectively xiii Continuous lines and circles denote aliphatic bonds and atoms respectively...

Ngày tải lên: 08/09/2015, 22:12

... Linearity, LOD and LOQ data of α-amyrin and β-amyrin standard calibration curves 162 Table 5.3 163 Table 5.4 Absolute and analytical recovery of α-amyrin and βamyrin Stability of α-amyrin and β-amyrin ... amyrin standard and (C) β- amyrin standard 65 Figure 3.2 Gas chromatograms of (A) 70% methanol extract of A elliptica, (B) hexane fraction, (C) α-amyrin standard and (D) β-amyrin standard 67 ... chromatograms of (A) isolated and purified β-amyrin and (B) β-amyrin standard 70 Figure 3.7 Gas chromatograms of (A) isolated and purified β-amyrin and (B) β-amyrin standard 71 Figure 3.8 Scanning...

Ngày tải lên: 10/09/2015, 08:25

... Materials and methods 101 5.2.1 5.3 Compound collections and construction of training and testing datasets 101 Results and discussion 104 5.3.1 Performance of SVM, kNN and PNN ... pool VS is known to contribute to discovery of hits and lead compounds and VS has been investigated and explored intensively Various tools and applications have been developed according to VS ... targets and drug of the approved, clinical trial, and experimental drugs These database lead to a better understanding of the disease and benefit for drug discovery Src promotes tumour invasion and...

Ngày tải lên: 10/09/2015, 09:04

... Chembl compounds and similar non-bioactive Pubchem compounds in each subtree 89 xi Bioinformatics of Targeted Therapeutics and Applications in Drug Discovery Chapter Table The targets and ... with the biological molecules such as nucleic acids and proteins (like receptors, enzymes, ion channels, structural and transport proteins) And the modulation of such biological molecules, known ... clinical trial drugs and to approved drugs, the drug discovery process is still time and money consuming (48) and methods to identify drug candidates are desired Out of the many compounds that pass...

Ngày tải lên: 12/09/2015, 09:10

... (linezolid, PNU-100480 and AZD5847); fluoroquinolones (ofloxacin, gatifloxacin and moxifloxacin); nitroimidazoles (PA-824 and OPC-67683) and TMC207 Interestingly, OPC-67683 (delamanid) and TMC207 (bedaquiline) ... to market Most drug candidates fail before they reach the clinic, and only one in nine compounds makes it through development and gets approval by the regulatory authorities and finally reaches ... members, V Nagarathna, P Murthy, Deepu and Dhruv for their understanding and continuous support Suresh B Lakshminarayana January 2015 ii LIST OF PUBLICATIONS AND CONFERENCE PRESENTATIONS Publications...

Ngày tải lên: 22/09/2015, 15:17

... which X and Y can be any residue, but are usually proline and hydroxyproline respectively This triplet motif results in left-handed helices that can intertwine with each other forming a righthanded ... disulfide bonds are formed within the N- and C- terminal propeptides, and hydroxylation of proline and lysine residues occurs within the collagenous domains (Kielty and Grant, 2002) These chains then ... of collagen synthesis and there is possibility that they deposit in the matrix (Risteli and Risteli, 1987) Following the cleavage, collagen molecules will self-assemble and align in a quarterstaggered...

Ngày tải lên: 09/10/2015, 11:07