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Coarse-grained BD simulation for the inhibitor XK263- HIV protease system. XK263 must rearrange in order Professor gave us a seminar about drug design 1...
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www.youtube.com/watch?v=xZxPyp80RQg
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A theoretically rigorous and computationally tractable methodology for the prediction of the free energies of binding of protein−ligand complexes is presented. The complexes of HIV-1 protease with two peptidomimetic inhibitors were taken as illustrative cases. Crystal Growth & Design...
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pubs.acs.org/cgi-bin/abstract.cgi/jmcmar/2001/44/i25/ab...
pubs.acs.org/cgi-bin/abstract.cgi/jmcmar/2001/44/i25/abs/jm010175z.html
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The discovery of human immunodeficiency virus (HIV) protease inhibitors (PIs) and their utilization in highly active antiretroviral therapy (HAART) have been a major turning point in the management of HIV/acquired immune-deficiency syndrome (AIDS). Function-Oriented Synthesis, Step Economy, and Drug Design...
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pubs.acs.org/doi/abs/10.1021/ar7001232
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inhibitors – now a key component of multi- drug HIV treatments. – are a prime example of structure-based drug design. •HIV's protease enzymes were validated...
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www.rsc.org/images/Drug%20design%20HIV_tcm18-166406.pdf
www.rsc.org/images/Drug%20design%20HIV_tcm18-166406.pdf
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HIV protease inhibitors were the first success of structure-based drug design [17]. Currently there are nine FDA-approved HIV-1 protease inhibitors,
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www.ncbi.nlm.nih.gov/pmc/articles/PMC2710804/
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Researchers in this focus area probe molecular structure to understand binding and catalysis by biological molecules and design or discover new ligands to enhance or suppress function, for biomedical and biotechnology applications. Leslie A. Kuhn: Development & drug-discovery applications of docking, screening,
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www.bch.msu.edu/research/scb/index.html
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a b Brower, E.T., et al. Inhibition of HIV-2 protease by HIV-1 protease inhibitors in clinical use. Chemical Biology & Drug Design. 71;298-305.
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en.wikipedia.org/wiki/Discovery_and_Development_of_HIV_...
en.wikipedia.org/wiki/Discovery_and_Development_of_HIV_Protease_Inhibitors
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ABT-378 is a potent in vitro inhibitor of the HIV protease and is currently being developed for coadministration with another HIV protease inhibitor, ritonavir, as an oral therapeutic treatment for HIV infection. The drug, buffer, and microsomes were mixed and kept at 37°C for 5 min, and the reaction was started by...
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dmd.aspetjournals.org/cgi/content/full/27/8/902
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Im Innern des Virus befindet sich ein konisch geformtes Capsid, in dem neben der RNA wichtige Proteine, unter anderem die HIV-Protease, liegen. Drug Design: Grundlagen...
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www.chemgapedia.de/vsengine/vlu/vsc/de/ch/8/bc/vlu/drug...
www.chemgapedia.de/vsengine/vlu/vsc/de/ch/8/bc/vlu/drug_design/hiv_protease.vlu/Page/vsc/de/ch/8/bc/drug_design/hiv_aufbau_l.vscml.html
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