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NMR in drug design

Archives of Biochemistry and Biophysics, 2017
The use of NMR as a tool to determine 3 dimensional protein solution structures, once a darling of the pharmaceutical industry, has largely given way to study of the interaction of prospective drugs with macromolecular targets. Many of these approaches involve ligand-centered studies, which have the advantage of speed and efficiency, but there are also
Mary J, Harner   +3 more
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Opioids and Designer Drugs

Emergency Medicine Clinics of North America, 1990
Despite the increasing use of other illicit drugs, opioid abuse, overdose, and the ensuing medical complications continue to pose management challenges for the emergency physician. Heroin use is increasing as abusers of cocaine seek a drug to prolong cocaine's effects while blunting the postcocaine depression.
M, Ford, R S, Hoffman, L R, Goldfrank
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Parachors in drug design

Biochemical Pharmacology, 1975
Abstract Parachor has been used extensively in physical organic chemistry for structure determination. It has rarely been used as a parameter for the correlation of structure and biological activity. We have reexamined the parachor concept for structure-activity correlations of some closely related analogs.
P, Ahmad, C A, Fyfe, A, Mellors
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Designing A Drug Kit

Dental Clinics of North America, 1982
The important tasks in developing an emergency kit have been reviewed. 1. Select the right equipment to handle life-threatening emergencies. Make the selections based on individual effective and efficient use. Select drugs and equipment in consultation with the closest, most available and willing physician, hospital, emergency service, or community ...
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Bioactivation of Drugs: Risk and Drug Design

Annual Review of Pharmacology and Toxicology, 2011
Bioactivation through drug metabolism is frequently suspected as an initiating event in many drug toxicities. The CYP450 and peroxidase enzyme systems are generally considered the most important groups of enzymes involved in bioactivation, producing either electrophilic or radical metabolites. Drug design efforts routinely consider these factors, and a
John S, Walsh, Gerald T, Miwa
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Challenges of Drug Design

Proceedings of the 8th ACM International Conference on Bioinformatics, Computational Biology,and Health Informatics, 2017
Computational drug design is highly dependent on the model being used for docking and fitting of structure. Those models are derived mainly from X-ray structures and hopefully represent the physiologically relevant form of the protein in solution.
openaire   +1 more source

Deconstructing Designer Drugs

Clinical Pharmacology & Therapeutics, 2016
The concepts behind current “designer drugs” are not new. For several centuries, chemical synthesis has made drugs more specific and more selective. However, headline designer drugs now are different and a serious public health problem because they are illicit unregulated chemical knockoffs of approved psychoactive stimulant, sedative, or perception ...
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‘Designer Drugs’

Medical Toxicology, 1988
'Designer drugs' are substances intended for recreational use which are derivatives of approved drugs so as to circumvent existing legal restrictions. The term as popularised by the lay press lacks precision. Contrary to the popular belief that 'designer drugs' are original creations, the majority of these agents are 'borrowed' from legitimate ...
J F, Buchanan, C R, Brown
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Antisense Oligonucleotide Drug Design

Current Pharmaceutical Design, 2004
Maneuvering single gene expression is not only an optimal way to study gene function but also an ambitious goal, which will lead to the treatment of a variety of human diseases whose main pathogenetic event is a genetic alteration. The recent efforts focusing on the genome project have led to array based, high throughput, gene expression analysis ...
SCHIAVONE, NICOLA   +3 more
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Topological Approach to Drug Design

Journal of Chemical Information and Computer Sciences, 1995
In this paper we demonstrated that by an adequate combination of different topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficiency level. Particularly successful in the search of new "lead drugs", the results show the surprising ability of the topological methods to ...
Jorge Gálvez   +3 more
openaire   +2 more sources

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