structure based drug design (19 Ergebnisse)

Taschenbuch. Zustand: Neu. Neuware -Bioinformatics now entails the creation and advancement of database, algorithms, computational and statistical techniques and theory to solve formal and practical problems arising from the management and analysis of biological data. Malaria is a mosquito-borne infectious disease caused by a eukaryotic protist of the genus Plasmodium. It is prevalent in tropical and subtropical regions, including parts of the America (USA), Asia and Africa. Each year, there are approximately 300¿450 million cases of malaria, killing between one and four million people, the majority of whom are young children in Sub-Saharan Africa. Drug Chloroquine (- 476.114k.cal/mol) performing more docking than Quinine (- 488.416k.cal/mol).Books on Demand GmbH, Überseering 33, 22297 Hamburg 56 pp. Englisch.

Taschenbuch. Zustand: Neu. Neuware -VEGF (Vascular Endothelial Growth Factor) is a potent angiogenic signal implicated with a key role in several pathological processes, including tumour vascularization, angiogenesis, and endothelial cell growth. The members of VEGF family bind to tyrosine kinase receptors on the cell surface to initiate a signalling cascade. VEGFR-2 is one such Receptor Tyrosine Kinase(RTK) that is found to mediate a majority of the cellular responses to VEGF. A structure based drug design study was performed on VEGFR-2 inhibitors based on the article ¿Hetaryl imidazoles: A novel dual inhibitors of VEGF receptors 1 and 2¿. The target protein was retrieved from the Protein Data Bank (I.D. 2OH4), based on the Ramachandran plot. The structures of reported inhibitors were obtained in 3-D format using standard software packages. These 3-D analogues were docked to the protein of choice using Molegro Virtual Docker. Based on a correlation between experimentally obtained log IC50 values and the results of the docking study, direct drug design was carried out. Novel inhibitors with significantly higher moldock scores were obtained with simple modifications to the original structure.Books on Demand GmbH, Überseering 33, 22297 Hamburg 72 pp. Englisch.

Zustand: New. In.

Taschenbuch. Zustand: Neu. Neuware -Poly(ADP-ribose)polymerase (PARP) is a chromatin bound nuclear enzyme which gets activated by DNA breaks, uses NAD as substrate and catalyses the poly-ADP ribosylation of a variety of proteins. The enzyme PARP is considered as a suitable target for anti-cancer activity as it is involved in a variety of physiological functions like cellular proliferation, differentiation, apoptosis and DNA replication. Based on the literature, pharmacophoric templates and bio-isosteric replacement approach, quinazolinone and phthalazinone derivatives were selected to design molecules to calculate binding affinity and visualize binding conformations and interactions at the active pocket of target PARP-1 protein. For preliminary evaluation, in silico potential compounds were selected to synthesize, purified by column chromatography, characterized by HNMR and Mass Spectral studies and carried out for in vitro cytotoxicity. Molecular docking and preliminary experimental data helped to investigate Structure Activity Relationship for design of safe and potential PARP-1 inhibitors for cancer therapy.Books on Demand GmbH, Überseering 33, 22297 Hamburg 108 pp. Englisch.

Hardcover. Zustand: Good. 1998. Ship within 24hrs. Satisfaction 100% guaranteed. APO/FPO addresses supported.

Buch. Zustand: Neu. Neuware -This volume focuses on target-oriented approximations to drug discovery, including target selection, binding pocket detection, and current uses and variants of molecular dynamics and molecular docking. The primary audience is PhD and graduates working in the field of molecular biology, structural biology, pharmaceutical sciences.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 268 pp. Englisch.

Zustand: New. In.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.

Zustand: New. In.

Hardcover. Zustand: Brand New. 647 pages. 9.50x6.50x1.25 inches. In Stock.