Bioinformatics Based Ligand-Docking and in-Silico Screening
نویسندگان
چکیده
منابع مشابه
Limits of Ligand Selectivity from Docking to Models: In Silico Screening for A1 Adenosine Receptor Antagonists
G protein-coupled receptors (GPCRs) are attractive targets for pharmaceutical research. With the recent determination of several GPCR X-ray structures, the applicability of structure-based computational methods for ligand identification, such as docking, has increased. Yet, as only about 1% of GPCRs have a known structure, receptor homology modeling remains necessary. In order to investigate th...
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Recent efforts in structural biology have lead and will lead to an exponential growth in the number of structures publicly available; many of these structures are potential drug targets. Because of recent advances in docking algorithms, in silico screening provides an attractive alternative to traditional screening for drug leads, since in vitro highthroughput screening of compounds is costly a...
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The drug discovery process has been profoundly changed recently by the adoption of computational methods helping the design of new drug candidates more rapidly and at lower costs. In silico drug design consists of a collection of tools helping to make rational decisions at the different steps of the drug discovery process, such as the identification of a biomolecular target of therapeutical int...
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Pressure is mounting on the pharmaceutical industry to reduce both the cost of drugs and the time to market. The large number of targets made available in the last decade has created a new area for technologies that can rapidly identify quality lead candidates. Virtual screening is one such technology that is gaining increasing importance in the drug discovery process. Virtual screening is a re...
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The expression of heat shock protein 27 (Hsp27) as a chaperone protein, is increased in response to various stress stimuli such as anticancer chemotherapy. This phenomenon can lead to survive of the cells and causes drug resistance. In this study, a series of methanesulfonamide derivatives as dual Hsp27 and tubulin inhibitors in the treatment of cancer were applied to quantitative structure–act...
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ژورنال
عنوان ژورنال: Chemical and Pharmaceutical Bulletin
سال: 2008
ISSN: 0009-2363,1347-5223
DOI: 10.1248/cpb.56.742